N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide

C21H30N4O3 — CID 60512579

IUPACN-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)CN2CCCC(C(=O)NCC3CC3)C2)c1
InChIInChI=1S/C21H30N4O3/c1-2-22-20(27)16-5-3-7-18(11-16)24-19(26)14-25-10-4-6-17(13-25)21(28)23-12-15-8-9-15/h3,5,7,11,15,17H,2,4,6,8-10,12-14H2,1H3,(H,22,27)(H,23,28)(H,24,26)
InChIKeyYMEHHIIQOOVDPT-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.61
Rot. Bonds8

About N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 60512579) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID60512579
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)CN2CCCC(C(=O)NCC3CC3)C2)c1
InChIInChI=1S/C21H30N4O3/c1-2-22-20(27)16-5-3-7-18(11-16)24-19(26)14-25-10-4-6-17(13-25)21(28)23-12-15-8-9-15/h3,5,7,11,15,17H,2,4,6,8-10,12-14H2,1H3,(H,22,27)(H,23,28)(H,24,26)
InChIKeyYMEHHIIQOOVDPT-UHFFFAOYSA-N
XLogP1.61
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide
CID 48937237
N-(cyclopropylmethyl)-1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-3-carboxamide
CID 55841784
3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide
CID 8539004
3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide
CID 126772136
3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide
CID 46984845
3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide
CID 47010706
3-[[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide
CID 8679962
3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide
CID 166256523
N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54814797
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
methyl 3-[[2-[(4S)-4-propylazepan-1-yl]acetyl]amino]benzoate
CID 52796867

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide (CID 60512579) is N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide is CCNC(=O)c1cccc(NC(=O)CN2CCCC(C(=O)NCC3CC3)C2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is YMEHHIIQOOVDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-2-22-20(27)16-5-3-7-18(11-16)24-19(26)14-25-10-4-6-17(13-25)21(28)23-12-15-8-9-15/h3,5,7,11,15,17H,2,4,6,8-10,12-14H2,1H3,(H,22,27)(H,23,28)(H,24,26).
What are the key properties of N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 60512579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).