3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide

C19H26N4O — CID 95722904

IUPAC3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
SMILESCc1nn(-c2ccccc2)cc1CN1CCC[C@@H](CCC(N)=O)C1
InChIInChI=1S/C19H26N4O/c1-15-17(14-23(21-15)18-7-3-2-4-8-18)13-22-11-5-6-16(12-22)9-10-19(20)24/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H2,20,24)/t16-/m0/s1
InChIKeyFMXWTHJZHDSLGG-INIZCTEOSA-N
MW326.44 g/mol
LogP2.66
Rot. Bonds6

About 3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide

3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 95722904) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
PubChem CID95722904
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
SMILESCc1nn(-c2ccccc2)cc1CN1CCC[C@@H](CCC(N)=O)C1
InChIInChI=1S/C19H26N4O/c1-15-17(14-23(21-15)18-7-3-2-4-8-18)13-22-11-5-6-16(12-22)9-10-19(20)24/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H2,20,24)/t16-/m0/s1
InChIKeyFMXWTHJZHDSLGG-INIZCTEOSA-N
XLogP2.66
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine
CID 70745905
3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide
CID 95716606
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876
3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide
CID 97157958
N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 97085545
3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide
CID 95711145
1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 112796807
3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911236
3-[1-[(Z)-4-methyl-2-phenylpent-2-enyl]piperidin-3-yl]propanamide
CID 131925370
3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide
CID 124843943
methyl (2S,3S)-3-hydroxy-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-2-carboxylate
CID 124736233
2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol
CID 166307073

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide (CID 95722904) is 3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide is Cc1nn(-c2ccccc2)cc1CN1CCC[C@@H](CCC(N)=O)C1.
What is the InChIKey of 3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?
The InChIKey is FMXWTHJZHDSLGG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-17(14-23(21-15)18-7-3-2-4-8-18)13-22-11-5-6-16(12-22)9-10-19(20)24/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H2,20,24)/t16-/m0/s1.
What are the key properties of 3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?
3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 95722904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).