3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one

C19H29N3O — CID 109013371

IUPAC3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC1CCN(c2ccc(NCCC(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C19H29N3O/c1-16-9-14-21(15-10-16)18-6-4-17(5-7-18)20-11-8-19(23)22-12-2-3-13-22/h4-7,16,20H,2-3,8-15H2,1H3
InChIKeyLYEJQJCMYGCJPO-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.35
Rot. Bonds5

About 3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one

3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 109013371) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID109013371
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC1CCN(c2ccc(NCCC(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C19H29N3O/c1-16-9-14-21(15-10-16)18-6-4-17(5-7-18)20-11-8-19(23)22-12-2-3-13-22/h4-7,16,20H,2-3,8-15H2,1H3
InChIKeyLYEJQJCMYGCJPO-UHFFFAOYSA-N
XLogP3.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.35
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

1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
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-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 108942827
N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631
N-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109032403
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(3-methylpyrrolidin-1-yl)-4-oxobutanamide
CID 86897059
3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023888
N-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949822
3-(4-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027275
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109035126
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one (CID 109013371) is 3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one is CC1CCN(c2ccc(NCCC(=O)N3CCCC3)cc2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is LYEJQJCMYGCJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-16-9-14-21(15-10-16)18-6-4-17(5-7-18)20-11-8-19(23)22-12-2-3-13-22/h4-7,16,20H,2-3,8-15H2,1H3.
What are the key properties of 3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one?
3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 315.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 109013371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).