(3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide

C25H40N4O3 — CID 56856681

IUPAC(3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@@H]1C[C@H](CN2CCOCC2)CN(CCc2ccccc2)C1
InChIInChI=1S/C25H40N4O3/c30-25(26-7-9-27-10-14-31-15-11-27)24-18-23(19-28-12-16-32-17-13-28)20-29(21-24)8-6-22-4-2-1-3-5-22/h1-5,23-24H,6-21H2,(H,26,30)/t23-,24-/m1/s1
InChIKeyWECYKKJSYQIEFI-DNQXCXABSA-N
MW444.62 g/mol
LogP0.95
Rot. Bonds9

About (3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide

(3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 56856681) has the molecular formula C25H40N4O3 and a molecular weight of 444.62 g/mol. Its IUPAC name is (3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID56856681
Molecular FormulaC25H40N4O3
Molecular Weight444.62 g/mol
Exact Mass444.31
IUPAC Name(3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@@H]1C[C@H](CN2CCOCC2)CN(CCc2ccccc2)C1
InChIInChI=1S/C25H40N4O3/c30-25(26-7-9-27-10-14-31-15-11-27)24-18-23(19-28-12-16-32-17-13-28)20-29(21-24)8-6-22-4-2-1-3-5-22/h1-5,23-24H,6-21H2,(H,26,30)/t23-,24-/m1/s1
InChIKeyWECYKKJSYQIEFI-DNQXCXABSA-N
XLogP0.95
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,5S)-N-[(4-methylphenyl)methyl]-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56852768
(3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56856852
(3R,5S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56858838
(3R,5S)-5-[(4-methylpiperazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56860695
(3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56859153
(3R,5S)-5-(morpholin-4-ylmethyl)-1-(naphthalen-2-ylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 56853617
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 93017350
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
(3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 56853685
methane;4-(2-phenylethyl)morpholine
CID 143698819
(3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56857909
(3S)-N-(3-morpholin-4-ylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92677076

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide (CID 56856681) is (3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide is O=C(NCCN1CCOCC1)[C@@H]1C[C@H](CN2CCOCC2)CN(CCc2ccccc2)C1.
What is the InChIKey of (3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is WECYKKJSYQIEFI-DNQXCXABSA-N. The full InChI is InChI=1S/C25H40N4O3/c30-25(26-7-9-27-10-14-31-15-11-27)24-18-23(19-28-12-16-32-17-13-28)20-29(21-24)8-6-22-4-2-1-3-5-22/h1-5,23-24H,6-21H2,(H,26,30)/t23-,24-/m1/s1.
What are the key properties of (3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide?
(3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 444.62 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56856681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).