3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide

C19H27N3O2 — CID 108942827

IUPAC3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC1CCN(C(=O)CC(=O)Nc2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C19H27N3O2/c1-15-8-12-22(13-9-15)19(24)14-18(23)20-16-4-6-17(7-5-16)21-10-2-3-11-21/h4-7,15H,2-3,8-14H2,1H3,(H,20,23)
InChIKeyRZEUQJYVCXJKTM-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.87
Rot. Bonds4

About 3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 108942827) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID108942827
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC1CCN(C(=O)CC(=O)Nc2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C19H27N3O2/c1-15-8-12-22(13-9-15)19(24)14-18(23)20-16-4-6-17(7-5-16)21-10-2-3-11-21/h4-7,15H,2-3,8-14H2,1H3,(H,20,23)
InChIKeyRZEUQJYVCXJKTM-UHFFFAOYSA-N
XLogP2.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methylpiperidine-1-carbodithioate
CID 9032922
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(3-methylpyrrolidin-1-yl)-4-oxobutanamide
CID 86897059
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108987931
3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013371
N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942818
N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942812
2-(azepan-1-ium-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 9298190
N-(4-acetamidophenyl)-3-(azepan-1-yl)-3-oxopropanamide
CID 108952717
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 108942827) is 3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide is CC1CCN(C(=O)CC(=O)Nc2ccc(N3CCCC3)cc2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is RZEUQJYVCXJKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15-8-12-22(13-9-15)19(24)14-18(23)20-16-4-6-17(7-5-16)21-10-2-3-11-21/h4-7,15H,2-3,8-14H2,1H3,(H,20,23).
What are the key properties of 3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 329.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 108942827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).