1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C22H27N5O3 — CID 56525101

IUPAC1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)c1
InChIInChI=1S/C22H27N5O3/c1-15-6-10-24-19(14-15)26-22(30)17-7-11-27(12-8-17)13-9-20(28)25-18-4-2-16(3-5-18)21(23)29/h2-6,10,14,17H,7-9,11-13H2,1H3,(H2,23,29)(H,25,28)(H,24,26,30)
InChIKeyBSMQJQRGDIUMPT-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.17
Rot. Bonds7

About 1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 56525101) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID56525101
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)c1
InChIInChI=1S/C22H27N5O3/c1-15-6-10-24-19(14-15)26-22(30)17-7-11-27(12-8-17)13-9-20(28)25-18-4-2-16(3-5-18)21(23)29/h2-6,10,14,17H,7-9,11-13H2,1H3,(H2,23,29)(H,25,28)(H,24,26,30)
InChIKeyBSMQJQRGDIUMPT-UHFFFAOYSA-N
XLogP2.17
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 37210805
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218
N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 55922165
N-(4-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108530485
N-(4-carbamoylphenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910253
4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide
CID 55841465
N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 29046567
N-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
CID 55921774
1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816268
N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide
CID 4630518
4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide
CID 95775396
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 56525101) is 1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)c1.
What is the InChIKey of 1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is BSMQJQRGDIUMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-15-6-10-24-19(14-15)26-22(30)17-7-11-27(12-8-17)13-9-20(28)25-18-4-2-16(3-5-18)21(23)29/h2-6,10,14,17H,7-9,11-13H2,1H3,(H2,23,29)(H,25,28)(H,24,26,30).
What are the key properties of 1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 56525101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).