N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide

C25H30N4O — CID 55736251

IUPACN-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C25H30N4O/c1-20-7-5-6-16-28(20)18-21-10-13-23(14-11-21)27-25(30)15-12-22-17-26-29(19-22)24-8-3-2-4-9-24/h2-4,8-11,13-14,17,19-20H,5-7,12,15-16,18H2,1H3,(H,27,30)
InChIKeyDGIUBLDKEXUHBA-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.82
Rot. Bonds7

About N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide

N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 55736251) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID55736251
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C25H30N4O/c1-20-7-5-6-16-28(20)18-21-10-13-23(14-11-21)27-25(30)15-12-22-17-26-29(19-22)24-8-3-2-4-9-24/h2-4,8-11,13-14,17,19-20H,5-7,12,15-16,18H2,1H3,(H,27,30)
InChIKeyDGIUBLDKEXUHBA-UHFFFAOYSA-N
XLogP4.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 49170952
5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 112828644
4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119844974
N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446
3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 35359122
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26809580
N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55736297
N-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 55717575
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 55868982
2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46535527

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 55736251) is N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide is CC1CCCCN1Cc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is DGIUBLDKEXUHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-20-7-5-6-16-28(20)18-21-10-13-23(14-11-21)27-25(30)15-12-22-17-26-29(19-22)24-8-3-2-4-9-24/h2-4,8-11,13-14,17,19-20H,5-7,12,15-16,18H2,1H3,(H,27,30).
What are the key properties of N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 402.54 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 55736251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).