ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate

C18H27N3O3 — CID 87044646

IUPACethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)N2CCCC(CC)C2)c1C
InChIInChI=1S/C18H27N3O3/c1-4-14-8-7-11-21(12-14)17(22)19-15-9-6-10-16(13(15)3)20-18(23)24-5-2/h6,9-10,14H,4-5,7-8,11-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyLTPMSKQREBXXCY-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.22
Rot. Bonds4

About ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate

ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate (PubChem CID 87044646) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate
PubChem CID87044646
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nameethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)N2CCCC(CC)C2)c1C
InChIInChI=1S/C18H27N3O3/c1-4-14-8-7-11-21(12-14)17(22)19-15-9-6-10-16(13(15)3)20-18(23)24-5-2/h6,9-10,14H,4-5,7-8,11-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyLTPMSKQREBXXCY-UHFFFAOYSA-N
XLogP4.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008
ethyl (3S)-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 94172269
ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51944275
(3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 99715459
2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 61203294
3-amino-N-(2-methyl-3-phenylphenyl)piperidine-1-carboxamide
CID 135146828
(3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide
CID 97437838
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
tert-butyl N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 51131983
(3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide
CID 97257435
N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide
CID 75456121

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate?
The IUPAC name of ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate (CID 87044646) is ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate is CCOC(=O)Nc1cccc(NC(=O)N2CCCC(CC)C2)c1C.
What is the InChIKey of ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate?
The InChIKey is LTPMSKQREBXXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-14-8-7-11-21(12-14)17(22)19-15-9-6-10-16(13(15)3)20-18(23)24-5-2/h6,9-10,14H,4-5,7-8,11-12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate?
ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate has a molecular weight of 333.43 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate is sourced from PubChem (CID 87044646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).