(2S)-N-(4-chlorophthalazin-1-yl)-1-methylpiperidine-2-carboxamide

C15H17ClN4O — CID 166151203

IUPAC(2S)-N-(4-chlorophthalazin-1-yl)-1-methylpiperidine-2-carboxamide
SMILESCN1CCCC[C@H]1C(=O)Nc1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H17ClN4O/c1-20-9-5-4-8-12(20)15(21)17-14-11-7-3-2-6-10(11)13(16)18-19-14/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,17,19,21)/t12-/m0/s1
InChIKeyKUIGYEBBXWGULT-LBPRGKRZSA-N
MW304.78 g/mol
LogP2.71
Rot. Bonds2

About (2S)-N-(4-chlorophthalazin-1-yl)-1-methylpiperidine-2-carboxamide

(2S)-N-(4-chlorophthalazin-1-yl)-1-methylpiperidine-2-carboxamide (PubChem CID 166151203) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is (2S)-N-(4-chlorophthalazin-1-yl)-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophthalazin-1-yl)-1-methylpiperidine-2-carboxamide
PubChem CID166151203
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(2S)-N-(4-chlorophthalazin-1-yl)-1-methylpiperidine-2-carboxamide
SMILESCN1CCCC[C@H]1C(=O)Nc1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H17ClN4O/c1-20-9-5-4-8-12(20)15(21)17-14-11-7-3-2-6-10(11)13(16)18-19-14/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,17,19,21)/t12-/m0/s1
InChIKeyKUIGYEBBXWGULT-LBPRGKRZSA-N
XLogP2.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide
CID 110865260
(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
CID 66586222
N-(2-tert-butylphenyl)-1-methylpiperidine-2-carboxamide
CID 110858395
N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383
4-chloro-N-cyclopentylphthalazin-1-amine
CID 62140614
N-(6-ethoxy-2-pyridinyl)-1-methylpiperidine-2-carboxamide
CID 167884113
1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 110860923
1-methyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 110856789
4-chloro-N-(4-methylpiperazin-1-yl)phthalazin-1-amine
CID 83023436
(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 12739440
(2R)-N-(4-hydroxy-2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide
CID 91667722
N-(4-hydroxy-2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide
CID 3030441

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophthalazin-1-yl)-1-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-chlorophthalazin-1-yl)-1-methylpiperidine-2-carboxamide (CID 166151203) is (2S)-N-(4-chlorophthalazin-1-yl)-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-chlorophthalazin-1-yl)-1-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-chlorophthalazin-1-yl)-1-methylpiperidine-2-carboxamide is CN1CCCC[C@H]1C(=O)Nc1nnc(Cl)c2ccccc12.
What is the InChIKey of (2S)-N-(4-chlorophthalazin-1-yl)-1-methylpiperidine-2-carboxamide?
The InChIKey is KUIGYEBBXWGULT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-20-9-5-4-8-12(20)15(21)17-14-11-7-3-2-6-10(11)13(16)18-19-14/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,17,19,21)/t12-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophthalazin-1-yl)-1-methylpiperidine-2-carboxamide?
(2S)-N-(4-chlorophthalazin-1-yl)-1-methylpiperidine-2-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophthalazin-1-yl)-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 166151203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).