N-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide

C27H34N4O — CID 3763193

IUPACN-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(c3nccn3Cc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C27H34N4O/c1-20(2)24-8-4-23(5-9-24)19-31-17-14-28-27(31)25-12-15-30(16-13-25)18-22-6-10-26(11-7-22)29-21(3)32/h4-11,14,17,20,25H,12-13,15-16,18-19H2,1-3H3,(H,29,32)
InChIKeyWQGGPPYWZHJTHM-UHFFFAOYSA-N
MW430.60 g/mol
LogP5.39
Rot. Bonds7

About N-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 3763193) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is N-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID3763193
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC NameN-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(c3nccn3Cc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C27H34N4O/c1-20(2)24-8-4-23(5-9-24)19-31-17-14-28-27(31)25-12-15-30(16-13-25)18-22-6-10-26(11-7-22)29-21(3)32/h4-11,14,17,20,25H,12-13,15-16,18-19H2,1-3H3,(H,29,32)
InChIKeyWQGGPPYWZHJTHM-UHFFFAOYSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide with MolForge

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioamide
CID 3802814
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528
3-(2,4-dimethoxypyrimidin-5-yl)-1-[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 3669028
N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
CID 21424837
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
(2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 51726510
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 70744906
N-[4-[[4-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 172902381
N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 46089334
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
N-(4-acetamidophenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7151038

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide (CID 3763193) is N-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC(c3nccn3Cc3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of N-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is WQGGPPYWZHJTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-20(2)24-8-4-23(5-9-24)19-31-17-14-28-27(31)25-12-15-30(16-13-25)18-22-6-10-26(11-7-22)29-21(3)32/h4-11,14,17,20,25H,12-13,15-16,18-19H2,1-3H3,(H,29,32).
What are the key properties of N-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 430.60 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 3763193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).