N-(3-fluorophenyl)-4-propan-2-yl-N-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]imidazole-1-carboxamide

C28H35FN4O2 — CID 143722345

IUPACN-(3-fluorophenyl)-4-propan-2-yl-N-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]imidazole-1-carboxamide
SMILESCC(C)Oc1cccc(CN2CCC(N(C(=O)n3cnc(C(C)C)c3)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C28H35FN4O2/c1-20(2)27-18-32(19-30-27)28(34)33(25-9-6-8-23(29)16-25)24-11-13-31(14-12-24)17-22-7-5-10-26(15-22)35-21(3)4/h5-10,15-16,18-21,24H,11-14,17H2,1-4H3
InChIKeyBQEIQQYNMKFKAL-UHFFFAOYSA-N
MW478.61 g/mol
LogP6.07
Rot. Bonds7

About N-(3-fluorophenyl)-4-propan-2-yl-N-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]imidazole-1-carboxamide

N-(3-fluorophenyl)-4-propan-2-yl-N-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]imidazole-1-carboxamide (PubChem CID 143722345) has the molecular formula C28H35FN4O2 and a molecular weight of 478.61 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-propan-2-yl-N-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-propan-2-yl-N-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]imidazole-1-carboxamide
PubChem CID143722345
Molecular FormulaC28H35FN4O2
Molecular Weight478.61 g/mol
Exact Mass478.27
IUPAC NameN-(3-fluorophenyl)-4-propan-2-yl-N-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]imidazole-1-carboxamide
SMILESCC(C)Oc1cccc(CN2CCC(N(C(=O)n3cnc(C(C)C)c3)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C28H35FN4O2/c1-20(2)27-18-32(19-30-27)28(34)33(25-9-6-8-23(29)16-25)24-11-13-31(14-12-24)17-22-7-5-10-26(15-22)35-21(3)4/h5-10,15-16,18-21,24H,11-14,17H2,1-4H3
InChIKeyBQEIQQYNMKFKAL-UHFFFAOYSA-N
XLogP6.07
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.61
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
N-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42853264
N-(4-fluorophenyl)-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 46047957
(3E)-1-(3-fluorophenyl)-1-[1-[[3-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]-3-(pyrrolidin-1-ylmethylidene)urea
CID 143665556
1-[(4-fluorophenyl)methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 45021320
1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol
CID 111113680
4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70784455
4-N'-(3-fluorophenyl)-1-[(3-propan-2-yloxyphenyl)methyl]piperidine-4,4-diamine
CID 70327411
N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide
CID 42853287
N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 46047800
2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684643
2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043217

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-propan-2-yl-N-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]imidazole-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-propan-2-yl-N-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]imidazole-1-carboxamide (CID 143722345) is N-(3-fluorophenyl)-4-propan-2-yl-N-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-propan-2-yl-N-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]imidazole-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-propan-2-yl-N-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]imidazole-1-carboxamide is CC(C)Oc1cccc(CN2CCC(N(C(=O)n3cnc(C(C)C)c3)c3cccc(F)c3)CC2)c1.
What is the InChIKey of N-(3-fluorophenyl)-4-propan-2-yl-N-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]imidazole-1-carboxamide?
The InChIKey is BQEIQQYNMKFKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN4O2/c1-20(2)27-18-32(19-30-27)28(34)33(25-9-6-8-23(29)16-25)24-11-13-31(14-12-24)17-22-7-5-10-26(15-22)35-21(3)4/h5-10,15-16,18-21,24H,11-14,17H2,1-4H3.
What are the key properties of N-(3-fluorophenyl)-4-propan-2-yl-N-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]imidazole-1-carboxamide?
N-(3-fluorophenyl)-4-propan-2-yl-N-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]imidazole-1-carboxamide has a molecular weight of 478.61 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-propan-2-yl-N-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]imidazole-1-carboxamide is sourced from PubChem (CID 143722345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).