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

C21H29ClN4O — CID 25478709

IUPACN-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide
SMILESCN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)CCc1cn[nH]c1
InChIInChI=1S/C21H29ClN4O/c1-25(21(27)9-6-18-13-23-24-14-18)15-19-3-2-11-26(16-19)12-10-17-4-7-20(22)8-5-17/h4-5,7-8,13-14,19H,2-3,6,9-12,15-16H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyGQTLOGNNMYRAAJ-IBGZPJMESA-N
MW388.94 g/mol
LogP3.41
Rot. Bonds8

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

N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 25478709) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide
PubChem CID25478709
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC NameN-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide
SMILESCN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)CCc1cn[nH]c1
InChIInChI=1S/C21H29ClN4O/c1-25(21(27)9-6-18-13-23-24-14-18)15-19-3-2-11-26(16-19)12-10-17-4-7-20(22)8-5-17/h4-5,7-8,13-14,19H,2-3,6,9-12,15-16H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyGQTLOGNNMYRAAJ-IBGZPJMESA-N
XLogP3.41
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-phenoxyacetamide
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N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide
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N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 42098715
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 42564848
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 25376126
N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide (CID 25478709) is N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide is CN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)CCc1cn[nH]c1.
What is the InChIKey of N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is GQTLOGNNMYRAAJ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29ClN4O/c1-25(21(27)9-6-18-13-23-24-14-18)15-19-3-2-11-26(16-19)12-10-17-4-7-20(22)8-5-17/h4-5,7-8,13-14,19H,2-3,6,9-12,15-16H2,1H3,(H,23,24)/t19-/m0/s1.
What are the key properties of N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide?
N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 388.94 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 25478709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).