(3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide

C20H29N3O3 — CID 95093847

IUPAC(3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@H](CCC(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C20H29N3O3/c1-16-4-7-18(8-5-16)21-20(25)23-10-2-3-17(15-23)6-9-19(24)22-11-13-26-14-12-22/h4-5,7-8,17H,2-3,6,9-15H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyQGOJOJHPNATWAT-QGZVFWFLSA-N
MW359.47 g/mol
LogP2.88
Rot. Bonds4

About (3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide

(3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide (PubChem CID 95093847) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide
PubChem CID95093847
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@H](CCC(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C20H29N3O3/c1-16-4-7-18(8-5-16)21-20(25)23-10-2-3-17(15-23)6-9-19(24)22-11-13-26-14-12-22/h4-5,7-8,17H,2-3,6,9-15H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyQGOJOJHPNATWAT-QGZVFWFLSA-N
XLogP2.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 95056824
(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
CID 93072696
(3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 95094157
3-[3-(cycloheptylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 53138024
(3S)-3-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094105
(3S)-N-(4-methylphenyl)-3-[3-oxo-3-(2-pyrrolidin-1-ylethylamino)propyl]piperidine-1-carboxamide
CID 95093850
(3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95093800
N-(4-fluorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138066
(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094149
3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 114802216
(3S)-N-(4-methylphenyl)-3-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]piperidine-1-carboxamide
CID 95093828
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide (CID 95093847) is (3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of (3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide?
The InChIKey is QGOJOJHPNATWAT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-16-4-7-18(8-5-16)21-20(25)23-10-2-3-17(15-23)6-9-19(24)22-11-13-26-14-12-22/h4-5,7-8,17H,2-3,6,9-15H2,1H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide?
(3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide is sourced from PubChem (CID 95093847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).