(3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide

C24H27N5O2 — CID 42519609

IUPAC(3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)cc1
InChIInChI=1S/C24H27N5O2/c1-17(30)26-21-8-4-18(5-9-21)15-29-14-2-3-20(16-29)24(31)27-22-10-6-19(7-11-22)23-12-13-25-28-23/h4-13,20H,2-3,14-16H2,1H3,(H,25,28)(H,26,30)(H,27,31)/t20-/m1/s1
InChIKeyOTAGIVVZHSLXFJ-HXUWFJFHSA-N
MW417.51 g/mol
LogP3.89
Rot. Bonds6

About (3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide

(3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide (PubChem CID 42519609) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is (3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
PubChem CID42519609
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name(3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)cc1
InChIInChI=1S/C24H27N5O2/c1-17(30)26-21-8-4-18(5-9-21)15-29-14-2-3-20(16-29)24(31)27-22-10-6-19(7-11-22)23-12-13-25-28-23/h4-13,20H,2-3,14-16H2,1H3,(H,25,28)(H,26,30)(H,27,31)/t20-/m1/s1
InChIKeyOTAGIVVZHSLXFJ-HXUWFJFHSA-N
XLogP3.89
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 70769405
1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 45229387
N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 45195369
N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919529
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 72847310
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 43713244
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925168
1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide
CID 43921795
3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119399799
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919136

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide (CID 42519609) is (3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide is CC(=O)Nc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)cc1.
What is the InChIKey of (3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is OTAGIVVZHSLXFJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17(30)26-21-8-4-18(5-9-21)15-29-14-2-3-20(16-29)24(31)27-22-10-6-19(7-11-22)23-12-13-25-28-23/h4-13,20H,2-3,14-16H2,1H3,(H,25,28)(H,26,30)(H,27,31)/t20-/m1/s1.
What are the key properties of (3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
(3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 42519609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).