N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide

C16H23N3O2 — CID 63131115

IUPACN-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)C2(C)CCCNC2)cc1
InChIInChI=1S/C16H23N3O2/c1-3-18-14(20)12-5-7-13(8-6-12)19-15(21)16(2)9-4-10-17-11-16/h5-8,17H,3-4,9-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLVNFCBWKHFCMBM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.76
Rot. Bonds4

About N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide

N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide (PubChem CID 63131115) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide
PubChem CID63131115
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)C2(C)CCCNC2)cc1
InChIInChI=1S/C16H23N3O2/c1-3-18-14(20)12-5-7-13(8-6-12)19-15(21)16(2)9-4-10-17-11-16/h5-8,17H,3-4,9-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLVNFCBWKHFCMBM-UHFFFAOYSA-N
XLogP1.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 63130315
N-[4-(hydroxymethyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 113397758
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
3-methyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 63131065
3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide
CID 63134870
N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63134873
N-[4-(ethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621167
3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide
CID 63130247
4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
CID 115452592
N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944538

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide (CID 63131115) is N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide is CCNC(=O)c1ccc(NC(=O)C2(C)CCCNC2)cc1.
What is the InChIKey of N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is LVNFCBWKHFCMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-18-14(20)12-5-7-13(8-6-12)19-15(21)16(2)9-4-10-17-11-16/h5-8,17H,3-4,9-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide?
N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63131115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).