1-methyl-4-(N-propanoylanilino)piperidine-4-carboxamide

C16H23N3O2 — CID 15075641

IUPAC1-methyl-4-(N-propanoylanilino)piperidine-4-carboxamide
SMILESCCC(=O)N(c1ccccc1)C1(C(N)=O)CCN(C)CC1
InChIInChI=1S/C16H23N3O2/c1-3-14(20)19(13-7-5-4-6-8-13)16(15(17)21)9-11-18(2)12-10-16/h4-8H,3,9-12H2,1-2H3,(H2,17,21)
InChIKeyDNPYNKHFNOBBMR-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.38
Rot. Bonds4

About 1-methyl-4-(N-propanoylanilino)piperidine-4-carboxamide

1-methyl-4-(N-propanoylanilino)piperidine-4-carboxamide (PubChem CID 15075641) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-methyl-4-(N-propanoylanilino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(N-propanoylanilino)piperidine-4-carboxamide
PubChem CID15075641
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-methyl-4-(N-propanoylanilino)piperidine-4-carboxamide
SMILESCCC(=O)N(c1ccccc1)C1(C(N)=O)CCN(C)CC1
InChIInChI=1S/C16H23N3O2/c1-3-14(20)19(13-7-5-4-6-8-13)16(15(17)21)9-11-18(2)12-10-16/h4-8H,3,9-12H2,1-2H3,(H2,17,21)
InChIKeyDNPYNKHFNOBBMR-UHFFFAOYSA-N
XLogP1.38
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(N-propanoylanilino)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-4-(N-propanoylanilino)piperidine-4-carboxamide (CID 15075641) is 1-methyl-4-(N-propanoylanilino)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-4-(N-propanoylanilino)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-4-(N-propanoylanilino)piperidine-4-carboxamide is CCC(=O)N(c1ccccc1)C1(C(N)=O)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(N-propanoylanilino)piperidine-4-carboxamide?
The InChIKey is DNPYNKHFNOBBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-14(20)19(13-7-5-4-6-8-13)16(15(17)21)9-11-18(2)12-10-16/h4-8H,3,9-12H2,1-2H3,(H2,17,21).
What are the key properties of 1-methyl-4-(N-propanoylanilino)piperidine-4-carboxamide?
1-methyl-4-(N-propanoylanilino)piperidine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(N-propanoylanilino)piperidine-4-carboxamide is sourced from PubChem (CID 15075641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).