N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide

C19H25FN4O — CID 119863385

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCc1ccc(-n2ccnc2)c(F)c1)C1CCNCC1
InChIInChI=1S/C19H25FN4O/c1-14(16-4-6-21-7-5-16)10-19(25)23-12-15-2-3-18(17(20)11-15)24-9-8-22-13-24/h2-3,8-9,11,13-14,16,21H,4-7,10,12H2,1H3,(H,23,25)
InChIKeyGHNDZDZIWZVLAQ-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.65
Rot. Bonds6

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide (PubChem CID 119863385) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide
PubChem CID119863385
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCc1ccc(-n2ccnc2)c(F)c1)C1CCNCC1
InChIInChI=1S/C19H25FN4O/c1-14(16-4-6-21-7-5-16)10-19(25)23-12-15-2-3-18(17(20)11-15)24-9-8-22-13-24/h2-3,8-9,11,13-14,16,21H,4-7,10,12H2,1H3,(H,23,25)
InChIKeyGHNDZDZIWZVLAQ-UHFFFAOYSA-N
XLogP2.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119863400
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471
4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
CID 120564989
N-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119860261
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119864547
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86843766
3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 119866382
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea
CID 166194769
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide (CID 119863385) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCc1ccc(-n2ccnc2)c(F)c1)C1CCNCC1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide?
The InChIKey is GHNDZDZIWZVLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-14(16-4-6-21-7-5-16)10-19(25)23-12-15-2-3-18(17(20)11-15)24-9-8-22-13-24/h2-3,8-9,11,13-14,16,21H,4-7,10,12H2,1H3,(H,23,25).
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide has a molecular weight of 344.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119863385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).