N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C27H34N4O — CID 42192300

IUPACN-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCCn1cc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c(C)n1
InChIInChI=1S/C27H34N4O/c1-4-14-31-19-25(21(3)29-31)18-30-15-12-23(13-16-30)27(32)28-26-10-8-22(9-11-26)24-7-5-6-20(2)17-24/h5-11,17,19,23H,4,12-16,18H2,1-3H3,(H,28,32)
InChIKeyAWXOVPFODGKOOW-UHFFFAOYSA-N
MW430.60 g/mol
LogP5.43
Rot. Bonds7

About N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide

N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 42192300) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID42192300
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC NameN-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCCn1cc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c(C)n1
InChIInChI=1S/C27H34N4O/c1-4-14-31-19-25(21(3)29-31)18-30-15-12-23(13-16-30)27(32)28-26-10-8-22(9-11-26)24-7-5-6-20(2)17-24/h5-11,17,19,23H,4,12-16,18H2,1-3H3,(H,28,32)
InChIKeyAWXOVPFODGKOOW-UHFFFAOYSA-N
XLogP5.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 25289485
1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 26399704
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
CID 25305180
1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 26321068
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
methyl 4-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007013
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
CID 38140368
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 38139651
N-(3-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141561
1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 43919037
N-[4-(cyanomethyl)phenyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38139916
(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125178178

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 42192300) is N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide is CCCn1cc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c(C)n1.
What is the InChIKey of N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is AWXOVPFODGKOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-4-14-31-19-25(21(3)29-31)18-30-15-12-23(13-16-30)27(32)28-26-10-8-22(9-11-26)24-7-5-6-20(2)17-24/h5-11,17,19,23H,4,12-16,18H2,1-3H3,(H,28,32).
What are the key properties of N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 430.60 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 42192300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).