1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide

C26H30N4O — CID 26399704

IUPAC1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
SMILESCCc1ncc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)cn1
InChIInChI=1S/C26H30N4O/c1-3-25-27-16-20(17-28-25)18-30-13-11-22(12-14-30)26(31)29-24-9-7-21(8-10-24)23-6-4-5-19(2)15-23/h4-10,15-17,22H,3,11-14,18H2,1-2H3,(H,29,31)
InChIKeyNBDZHNJBZDLTEM-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.87
Rot. Bonds6

About 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide

1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide (PubChem CID 26399704) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
PubChem CID26399704
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
SMILESCCc1ncc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)cn1
InChIInChI=1S/C26H30N4O/c1-3-25-27-16-20(17-28-25)18-30-13-11-22(12-14-30)26(31)29-24-9-7-21(8-10-24)23-6-4-5-19(2)15-23/h4-10,15-17,22H,3,11-14,18H2,1-2H3,(H,29,31)
InChIKeyNBDZHNJBZDLTEM-UHFFFAOYSA-N
XLogP4.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.87
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
N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 42192300
1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 26321068
1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
CID 42244589
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 45253222
1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 27234910
methyl 4-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007013
1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 25493262
1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 43919037
N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide
CID 72919256
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide (CID 26399704) is 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide is CCc1ncc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)cn1.
What is the InChIKey of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The InChIKey is NBDZHNJBZDLTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-3-25-27-16-20(17-28-25)18-30-13-11-22(12-14-30)26(31)29-24-9-7-21(8-10-24)23-6-4-5-19(2)15-23/h4-10,15-17,22H,3,11-14,18H2,1-2H3,(H,29,31).
What are the key properties of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 26399704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).