(3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide

C20H29N3O3 — CID 51933605

IUPAC(3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@@H](C(=O)NCCCN3CCCCC3)CC2=O)c1
InChIInChI=1S/C20H29N3O3/c1-26-18-8-5-7-17(14-18)23-15-16(13-19(23)24)20(25)21-9-6-12-22-10-3-2-4-11-22/h5,7-8,14,16H,2-4,6,9-13,15H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyHDKFFDRMUCZBIU-INIZCTEOSA-N
MW359.47 g/mol
LogP2.04
Rot. Bonds7

About (3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide

(3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide (PubChem CID 51933605) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
PubChem CID51933605
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@@H](C(=O)NCCCN3CCCCC3)CC2=O)c1
InChIInChI=1S/C20H29N3O3/c1-26-18-8-5-7-17(14-18)23-15-16(13-19(23)24)20(25)21-9-6-12-22-10-3-2-4-11-22/h5,7-8,14,16H,2-4,6,9-13,15H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyHDKFFDRMUCZBIU-INIZCTEOSA-N
XLogP2.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
(3R)-N-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9375419
3-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl-dimethylazanium
CID 9375428
N-(3-cyclohexyloxypropyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55556645
N-(2-cyclohexylethyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46548075
1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55559017
(3R)-N-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9376315
(3R)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2294283
(3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2294281
1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55751538

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide (CID 51933605) is (3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide is COc1cccc(N2C[C@@H](C(=O)NCCCN3CCCCC3)CC2=O)c1.
What is the InChIKey of (3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is HDKFFDRMUCZBIU-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-26-18-8-5-7-17(14-18)23-15-16(13-19(23)24)20(25)21-9-6-12-22-10-3-2-4-11-22/h5,7-8,14,16H,2-4,6,9-13,15H2,1H3,(H,21,25)/t16-/m0/s1.
What are the key properties of (3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide?
(3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51933605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).