N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide

C20H30N4O3 — CID 37210805

IUPACN-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C20H30N4O3/c1-2-3-11-22-20(27)16-8-12-24(13-9-16)14-10-18(25)23-17-6-4-15(5-7-17)19(21)26/h4-7,16H,2-3,8-14H2,1H3,(H2,21,26)(H,22,27)(H,23,25)
InChIKeyPFKRBBGVIKCERF-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.74
Rot. Bonds9

About N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide

N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 37210805) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide
PubChem CID37210805
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C20H30N4O3/c1-2-3-11-22-20(27)16-8-12-24(13-9-16)14-10-18(25)23-17-6-4-15(5-7-17)19(21)26/h4-7,16H,2-3,8-14H2,1H3,(H2,21,26)(H,22,27)(H,23,25)
InChIKeyPFKRBBGVIKCERF-UHFFFAOYSA-N
XLogP1.74
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218
1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56525101
N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909784
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-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973005
1-[3-(3-chloro-4-cyanoanilino)-3-oxopropyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 56525653
4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide
CID 95775396
N-butyl-N'-(4-carbamoylphenyl)oxamide
CID 7584966
1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 20972958
1-butyl-N-propylpiperidine-4-carboxamide
CID 155706109
ethyl 1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 1149589

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide (CID 37210805) is N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide?
The InChIKey is PFKRBBGVIKCERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-2-3-11-22-20(27)16-8-12-24(13-9-16)14-10-18(25)23-17-6-4-15(5-7-17)19(21)26/h4-7,16H,2-3,8-14H2,1H3,(H2,21,26)(H,22,27)(H,23,25).
What are the key properties of N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide?
N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.74, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 37210805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).