(2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide

C18H22N4O — CID 97201683

IUPAC(2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide
SMILESCC[C@H]1CCCCN1C(=O)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C18H22N4O/c1-2-16-10-6-7-11-22(16)18(23)21-15-12-19-17(20-13-15)14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,2,6-7,10-11H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyPYISLCGMUKKGEM-INIZCTEOSA-N
MW310.40 g/mol
LogP3.94
Rot. Bonds3

About (2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide

(2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide (PubChem CID 97201683) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide
PubChem CID97201683
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide
SMILESCC[C@H]1CCCCN1C(=O)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C18H22N4O/c1-2-16-10-6-7-11-22(16)18(23)21-15-12-19-17(20-13-15)14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,2,6-7,10-11H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyPYISLCGMUKKGEM-INIZCTEOSA-N
XLogP3.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 104690906
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
5-[(2-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157572
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
(2S)-2-ethyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxamide
CID 94146426
1-[(2-phenylpyrimidin-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122076993
4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
CID 97291407
(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 109264131
N-(2,6-dichlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990919
3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide
CID 48739524

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide (CID 97201683) is (2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide is CC[C@H]1CCCCN1C(=O)Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of (2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide?
The InChIKey is PYISLCGMUKKGEM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-16-10-6-7-11-22(16)18(23)21-15-12-19-17(20-13-15)14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,2,6-7,10-11H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide?
(2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97201683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).