(2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide

C19H26N4O — CID 97256783

IUPAC(2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide
SMILESCc1cc(C2CCN([C@H](C)C(=O)Nc3ccccc3C)CC2)n[nH]1
InChIInChI=1S/C19H26N4O/c1-13-6-4-5-7-17(13)20-19(24)15(3)23-10-8-16(9-11-23)18-12-14(2)21-22-18/h4-7,12,15-16H,8-11H2,1-3H3,(H,20,24)(H,21,22)/t15-/m1/s1
InChIKeyFVVQDABMOPJRLN-OAHLLOKOSA-N
MW326.44 g/mol
LogP3.23
Rot. Bonds4

About (2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide

(2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide (PubChem CID 97256783) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide
PubChem CID97256783
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide
SMILESCc1cc(C2CCN([C@H](C)C(=O)Nc3ccccc3C)CC2)n[nH]1
InChIInChI=1S/C19H26N4O/c1-13-6-4-5-7-17(13)20-19(24)15(3)23-10-8-16(9-11-23)18-12-14(2)21-22-18/h4-7,12,15-16H,8-11H2,1-3H3,(H,20,24)(H,21,22)/t15-/m1/s1
InChIKeyFVVQDABMOPJRLN-OAHLLOKOSA-N
XLogP3.23
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
(2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 96997613
(2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide
CID 129397528
2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 71926954
tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60513191
(2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide
CID 124880412
(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 92513883
N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114110
N-(3-fluorophenyl)-2-[4-[1-(2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 60513033
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 51168008
(3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide
CID 97306926

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide (CID 97256783) is (2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide is Cc1cc(C2CCN([C@H](C)C(=O)Nc3ccccc3C)CC2)n[nH]1.
What is the InChIKey of (2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide?
The InChIKey is FVVQDABMOPJRLN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-6-4-5-7-17(13)20-19(24)15(3)23-10-8-16(9-11-23)18-12-14(2)21-22-18/h4-7,12,15-16H,8-11H2,1-3H3,(H,20,24)(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide?
(2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 97256783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).