N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide

C20H29N3O2 — CID 60529718

IUPACN-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2ccccc2N2CCCCC2)C1
InChIInChI=1S/C20H29N3O2/c1-2-19(24)23-14-8-9-16(15-23)20(25)21-17-10-4-5-11-18(17)22-12-6-3-7-13-22/h4-5,10-11,16H,2-3,6-9,12-15H2,1H3,(H,21,25)
InChIKeyOPKNMGCRAKWRMA-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.26
Rot. Bonds4

About N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide

N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide (PubChem CID 60529718) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide
PubChem CID60529718
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2ccccc2N2CCCCC2)C1
InChIInChI=1S/C20H29N3O2/c1-2-19(24)23-14-8-9-16(15-23)20(25)21-17-10-4-5-11-18(17)22-12-6-3-7-13-22/h4-5,10-11,16H,2-3,6-9,12-15H2,1H3,(H,21,25)
InChIKeyOPKNMGCRAKWRMA-UHFFFAOYSA-N
XLogP3.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 30806067
N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554
1-N,3-N-bis(2-pyrrolidin-1-ylphenyl)cyclohexane-1,3-dicarboxamide
CID 60596479
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24535038
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55813432
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 46430810
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527195
N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255391
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide (CID 60529718) is N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)Nc2ccccc2N2CCCCC2)C1.
What is the InChIKey of N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide?
The InChIKey is OPKNMGCRAKWRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-2-19(24)23-14-8-9-16(15-23)20(25)21-17-10-4-5-11-18(17)22-12-6-3-7-13-22/h4-5,10-11,16H,2-3,6-9,12-15H2,1H3,(H,21,25).
What are the key properties of N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide?
N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 60529718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).