(2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide

C25H38FN5O3 — CID 23940524

IUPAC(2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide
SMILESNCCNC(=O)[C@H]1CC(N(CCN2CCOCC2)Cc2ccc(F)cc2)CCN1C(=O)C1CC1
InChIInChI=1S/C25H38FN5O3/c26-21-5-1-19(2-6-21)18-30(12-11-29-13-15-34-16-14-29)22-7-10-31(25(33)20-3-4-20)23(17-22)24(32)28-9-8-27/h1-2,5-6,20,22-23H,3-4,7-18,27H2,(H,28,32)/t22?,23-/m1/s1
InChIKeyYPDBPNMWFQIYSR-OZAIVSQSSA-N
MW475.61 g/mol
LogP0.80
Rot. Bonds10

About (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide

(2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide (PubChem CID 23940524) has the molecular formula C25H38FN5O3 and a molecular weight of 475.61 g/mol. Its IUPAC name is (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide
PubChem CID23940524
Molecular FormulaC25H38FN5O3
Molecular Weight475.61 g/mol
Exact Mass475.30
IUPAC Name(2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide
SMILESNCCNC(=O)[C@H]1CC(N(CCN2CCOCC2)Cc2ccc(F)cc2)CCN1C(=O)C1CC1
InChIInChI=1S/C25H38FN5O3/c26-21-5-1-19(2-6-21)18-30(12-11-29-13-15-34-16-14-29)22-7-10-31(25(33)20-3-4-20)23(17-22)24(32)28-9-8-27/h1-2,5-6,20,22-23H,3-4,7-18,27H2,(H,28,32)/t22?,23-/m1/s1
InChIKeyYPDBPNMWFQIYSR-OZAIVSQSSA-N
XLogP0.80
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide with MolForge

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Related Compounds

(2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]piperidine-2-carboxamide
CID 23913504
1-acetyl-N-(2-aminoethyl)-4-[2-morpholin-4-ylethyl-[(4-nitrophenyl)methyl]amino]pyrrolidine-2-carboxamide
CID 23908602
N-(2-aminoethyl)-4-[2-morpholin-4-ylethyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23791721
1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
CID 23940878
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide
CID 23795951
(2R)-N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 23819818
(2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide
CID 23828202
1,4-diazepan-1-yl-[1-(4-fluorobenzoyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidin-2-yl]methanone
CID 23878215
N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
CID 23961817
1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 110373868
(2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
CID 23827261
(2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
CID 23738120

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide (CID 23940524) is (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide is NCCNC(=O)[C@H]1CC(N(CCN2CCOCC2)Cc2ccc(F)cc2)CCN1C(=O)C1CC1.
What is the InChIKey of (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide?
The InChIKey is YPDBPNMWFQIYSR-OZAIVSQSSA-N. The full InChI is InChI=1S/C25H38FN5O3/c26-21-5-1-19(2-6-21)18-30(12-11-29-13-15-34-16-14-29)22-7-10-31(25(33)20-3-4-20)23(17-22)24(32)28-9-8-27/h1-2,5-6,20,22-23H,3-4,7-18,27H2,(H,28,32)/t22?,23-/m1/s1.
What are the key properties of (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide?
(2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide has a molecular weight of 475.61 g/mol, XLogP of 0.80, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide is sourced from PubChem (CID 23940524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).