N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide

C18H24N4O — CID 99939569

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
SMILESCc1cc(CNC(=O)c2cccc([C@@H]3CCCNC3)c2)n(C)n1
InChIInChI=1S/C18H24N4O/c1-13-9-17(22(2)21-13)12-20-18(23)15-6-3-5-14(10-15)16-7-4-8-19-11-16/h3,5-6,9-10,16,19H,4,7-8,11-12H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyIPHHVCIQUUJERQ-MRXNPFEDSA-N
MW312.42 g/mol
LogP2.13
Rot. Bonds4

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide (PubChem CID 99939569) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
PubChem CID99939569
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
SMILESCc1cc(CNC(=O)c2cccc([C@@H]3CCCNC3)c2)n(C)n1
InChIInChI=1S/C18H24N4O/c1-13-9-17(22(2)21-13)12-20-18(23)15-6-3-5-14(10-15)16-7-4-8-19-11-16/h3,5-6,9-10,16,19H,4,7-8,11-12H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyIPHHVCIQUUJERQ-MRXNPFEDSA-N
XLogP2.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-piperidin-3-ylbenzamide
CID 172654408
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97193467
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 19292722
(4R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-4-carboxamide
CID 97456255
N-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-4-carboxamide;hydrochloride
CID 154900615
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3-piperidin-3-ylbenzamide
CID 77086327
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97211128
N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide
CID 74250263
N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
CID 172654417
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97195958

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide (CID 99939569) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide is Cc1cc(CNC(=O)c2cccc([C@@H]3CCCNC3)c2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is IPHHVCIQUUJERQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-9-17(22(2)21-13)12-20-18(23)15-6-3-5-14(10-15)16-7-4-8-19-11-16/h3,5-6,9-10,16,19H,4,7-8,11-12H2,1-2H3,(H,20,23)/t16-/m1/s1.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 312.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 99939569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).