N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide

C18H21ClN4O2 — CID 136948058

IUPACN-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
SMILESCc1nc(C2CCCN(C(=O)Nc3cccc(Cl)c3C)C2)cc(=O)[nH]1
InChIInChI=1S/C18H21ClN4O2/c1-11-14(19)6-3-7-15(11)22-18(25)23-8-4-5-13(10-23)16-9-17(24)21-12(2)20-16/h3,6-7,9,13H,4-5,8,10H2,1-2H3,(H,22,25)(H,20,21,24)
InChIKeyBZKGTFKRSBLISF-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.45
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide

N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide (PubChem CID 136948058) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
PubChem CID136948058
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
SMILESCc1nc(C2CCCN(C(=O)Nc3cccc(Cl)c3C)C2)cc(=O)[nH]1
InChIInChI=1S/C18H21ClN4O2/c1-11-14(19)6-3-7-15(11)22-18(25)23-8-4-5-13(10-23)16-9-17(24)21-12(2)20-16/h3,6-7,9,13H,4-5,8,10H2,1-2H3,(H,22,25)(H,20,21,24)
InChIKeyBZKGTFKRSBLISF-UHFFFAOYSA-N
XLogP3.45
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988379
3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide
CID 136998492
N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988474
N-(3-chloro-2-methylphenyl)-3-oxo-3-[3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]propanamide
CID 137253242
(3R)-N-(3-chloro-2-methylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 126434611
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
(3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 137036839
4-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136861424
2-methyl-4-[(3R)-1-[2-(2-methylphenyl)sulfanylacetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 135858414
4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136762318
2-methyl-4-[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136804333
ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51944275

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide (CID 136948058) is N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide is Cc1nc(C2CCCN(C(=O)Nc3cccc(Cl)c3C)C2)cc(=O)[nH]1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The InChIKey is BZKGTFKRSBLISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-11-14(19)6-3-7-15(11)22-18(25)23-8-4-5-13(10-23)16-9-17(24)21-12(2)20-16/h3,6-7,9,13H,4-5,8,10H2,1-2H3,(H,22,25)(H,20,21,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136948058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).