ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate

C16H23N3O3 — CID 35939336

IUPACethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)N[C@@H](C)c2ccccn2)CC1
InChIInChI=1S/C16H23N3O3/c1-3-22-16(21)19-10-7-13(8-11-19)15(20)18-12(2)14-6-4-5-9-17-14/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeySTGRDKOTRKRTJI-LBPRGKRZSA-N
MW305.38 g/mol
LogP2.13
Rot. Bonds4

About ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate

ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 35939336) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate
PubChem CID35939336
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nameethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)N[C@@H](C)c2ccccn2)CC1
InChIInChI=1S/C16H23N3O3/c1-3-22-16(21)19-10-7-13(8-11-19)15(20)18-12(2)14-6-4-5-9-17-14/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeySTGRDKOTRKRTJI-LBPRGKRZSA-N
XLogP2.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate
CID 126475457
ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 17459653
3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407435
ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate
CID 46448992
(3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 94091157
4-methyl-N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113223974
tert-butyl 4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175773
benzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 102563792
N-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]cyclohexanecarboxamide
CID 92829486
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate (CID 35939336) is ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)N[C@@H](C)c2ccccn2)CC1.
What is the InChIKey of ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is STGRDKOTRKRTJI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-22-16(21)19-10-7-13(8-11-19)15(20)18-12(2)14-6-4-5-9-17-14/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate?
ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 35939336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).