1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide

C19H27N3O3 — CID 97427651

IUPAC1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide
SMILESCO[C@H]1CCN(c2ccc(NC(=O)C3CCN(C(C)=O)CC3)cc2)C1
InChIInChI=1S/C19H27N3O3/c1-14(23)21-10-7-15(8-11-21)19(24)20-16-3-5-17(6-4-16)22-12-9-18(13-22)25-2/h3-6,15,18H,7-13H2,1-2H3,(H,20,24)/t18-/m0/s1
InChIKeyYOAXPUJUNCBWCR-SFHVURJKSA-N
MW345.44 g/mol
LogP2.11
Rot. Bonds4

About 1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide

1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide (PubChem CID 97427651) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide
PubChem CID97427651
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide
SMILESCO[C@H]1CCN(c2ccc(NC(=O)C3CCN(C(C)=O)CC3)cc2)C1
InChIInChI=1S/C19H27N3O3/c1-14(23)21-10-7-15(8-11-21)19(24)20-16-3-5-17(6-4-16)22-12-9-18(13-22)25-2/h3-6,15,18H,7-13H2,1-2H3,(H,20,24)/t18-/m0/s1
InChIKeyYOAXPUJUNCBWCR-SFHVURJKSA-N
XLogP2.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
CID 71809591
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
CID 97427535
2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 90595303
1-acetyl-N-[4-(1,3-dioxolan-2-yl)phenyl]piperidine-4-carboxamide
CID 110745350
1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 110686168
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea
CID 90595543
ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 41491893
1-(1-acetylpiperidin-4-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 42693365

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide (CID 97427651) is 1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide is CO[C@H]1CCN(c2ccc(NC(=O)C3CCN(C(C)=O)CC3)cc2)C1.
What is the InChIKey of 1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide?
The InChIKey is YOAXPUJUNCBWCR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(23)21-10-7-15(8-11-21)19(24)20-16-3-5-17(6-4-16)22-12-9-18(13-22)25-2/h3-6,15,18H,7-13H2,1-2H3,(H,20,24)/t18-/m0/s1.
What are the key properties of 1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide?
1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 97427651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).