N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide

C17H24N2O2 — CID 71809591

IUPACN-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
SMILESCOC1CCN(c2ccc(NC(=O)C3CCCC3)cc2)C1
InChIInChI=1S/C17H24N2O2/c1-21-16-10-11-19(12-16)15-8-6-14(7-9-15)18-17(20)13-4-2-3-5-13/h6-9,13,16H,2-5,10-12H2,1H3,(H,18,20)
InChIKeySGISHCJLYYALAT-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.04
Rot. Bonds4

About N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide (PubChem CID 71809591) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
PubChem CID71809591
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
SMILESCOC1CCN(c2ccc(NC(=O)C3CCCC3)cc2)C1
InChIInChI=1S/C17H24N2O2/c1-21-16-10-11-19(12-16)15-8-6-14(7-9-15)18-17(20)13-4-2-3-5-13/h6-9,13,16H,2-5,10-12H2,1H3,(H,18,20)
InChIKeySGISHCJLYYALAT-UHFFFAOYSA-N
XLogP3.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide
CID 97427651
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 90595303
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
CID 97427535
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
1-[(4-chlorophenyl)methyl]-3-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]urea
CID 97427698

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide (CID 71809591) is N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide is COC1CCN(c2ccc(NC(=O)C3CCCC3)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide?
The InChIKey is SGISHCJLYYALAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-16-10-11-19(12-16)15-8-6-14(7-9-15)18-17(20)13-4-2-3-5-13/h6-9,13,16H,2-5,10-12H2,1H3,(H,18,20).
What are the key properties of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide?
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 71809591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).