(2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide

C27H34FN5O2 — CID 23828202

IUPAC(2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide
SMILESCC(C)CN(Cc1ccc(C#N)cc1)C1CCN(C(=O)c2ccc(F)cc2)[C@@H](C(=O)NCCN)C1
InChIInChI=1S/C27H34FN5O2/c1-19(2)17-32(18-21-5-3-20(16-30)4-6-21)24-11-14-33(25(15-24)26(34)31-13-12-29)27(35)22-7-9-23(28)10-8-22/h3-10,19,24-25H,11-15,17-18,29H2,1-2H3,(H,31,34)/t24?,25-/m1/s1
InChIKeyAVRLHFQEESMBLW-WUBHUQEYSA-N
MW479.60 g/mol
LogP2.90
Rot. Bonds9

About (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide

(2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide (PubChem CID 23828202) has the molecular formula C27H34FN5O2 and a molecular weight of 479.60 g/mol. Its IUPAC name is (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide
PubChem CID23828202
Molecular FormulaC27H34FN5O2
Molecular Weight479.60 g/mol
Exact Mass479.27
IUPAC Name(2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide
SMILESCC(C)CN(Cc1ccc(C#N)cc1)C1CCN(C(=O)c2ccc(F)cc2)[C@@H](C(=O)NCCN)C1
InChIInChI=1S/C27H34FN5O2/c1-19(2)17-32(18-21-5-3-20(16-30)4-6-21)24-11-14-33(25(15-24)26(34)31-13-12-29)27(35)22-7-9-23(28)10-8-22/h3-10,19,24-25H,11-15,17-18,29H2,1-2H3,(H,31,34)/t24?,25-/m1/s1
InChIKeyAVRLHFQEESMBLW-WUBHUQEYSA-N
XLogP2.90
TPSA102.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide with MolForge

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Related Compounds

(2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide
CID 23792648
(2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-phenylethyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide
CID 23761837
N-(2-aminoethyl)-4-[cyclopropanecarbonyl(2-methylpropyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 23797419
(2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 23791087
N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]pyrrolidine-2-carboxamide
CID 23905595
(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)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]piperidine-2-carboxamide
CID 23913504
(2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide
CID 23940524
N-(2-aminoethyl)-1-(4-fluorobenzoyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide
CID 23732167
(2R)-N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-fluorobenzoyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide
CID 23995677
N-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide
CID 23932983
(2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 23961673

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide (CID 23828202) is (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide is CC(C)CN(Cc1ccc(C#N)cc1)C1CCN(C(=O)c2ccc(F)cc2)[C@@H](C(=O)NCCN)C1.
What is the InChIKey of (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide?
The InChIKey is AVRLHFQEESMBLW-WUBHUQEYSA-N. The full InChI is InChI=1S/C27H34FN5O2/c1-19(2)17-32(18-21-5-3-20(16-30)4-6-21)24-11-14-33(25(15-24)26(34)31-13-12-29)27(35)22-7-9-23(28)10-8-22/h3-10,19,24-25H,11-15,17-18,29H2,1-2H3,(H,31,34)/t24?,25-/m1/s1.
What are the key properties of (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide?
(2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide is sourced from PubChem (CID 23828202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).