N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide

C19H25ClN4O — CID 42196066

IUPACN-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C19H25ClN4O/c1-15-8-11-24(22-15)12-9-19(25)21-18-3-2-10-23(14-18)13-16-4-6-17(20)7-5-16/h4-8,11,18H,2-3,9-10,12-14H2,1H3,(H,21,25)/t18-/m1/s1
InChIKeyCTSPVWHQYZISOC-GOSISDBHSA-N
MW360.89 g/mol
LogP3.02
Rot. Bonds6

About N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide

N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 42196066) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID42196066
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C19H25ClN4O/c1-15-8-11-24(22-15)12-9-19(25)21-18-3-2-10-23(14-18)13-16-4-6-17(20)7-5-16/h4-8,11,18H,2-3,9-10,12-14H2,1H3,(H,21,25)/t18-/m1/s1
InChIKeyCTSPVWHQYZISOC-GOSISDBHSA-N
XLogP3.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-(3-methylpyrazol-1-yl)propanamide
CID 19555712
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 51636347
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 25447187
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 24791479
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
CID 155341898
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide
CID 54551711
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide
CID 75927878
N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 42593228
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 45184928

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide (CID 42196066) is N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)n1.
What is the InChIKey of N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is CTSPVWHQYZISOC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-15-8-11-24(22-15)12-9-19(25)21-18-3-2-10-23(14-18)13-16-4-6-17(20)7-5-16/h4-8,11,18H,2-3,9-10,12-14H2,1H3,(H,21,25)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 360.89 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 42196066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).