N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide

C24H33FN4O — CID 95853122

IUPACN-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide
SMILESO=C(CCCn1ccnc1)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1
InChIInChI=1S/C24H33FN4O/c25-21-6-3-5-20(17-21)24(10-1-2-11-24)18-28-14-8-22(9-15-28)27-23(30)7-4-13-29-16-12-26-19-29/h3,5-6,12,16-17,19,22H,1-2,4,7-11,13-15,18H2,(H,27,30)
InChIKeyPEJUKYFSLJNCCR-UHFFFAOYSA-N
MW412.55 g/mol
LogP3.89
Rot. Bonds8

About N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide

N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide (PubChem CID 95853122) has the molecular formula C24H33FN4O and a molecular weight of 412.55 g/mol. Its IUPAC name is N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide
PubChem CID95853122
Molecular FormulaC24H33FN4O
Molecular Weight412.55 g/mol
Exact Mass412.26
IUPAC NameN-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide
SMILESO=C(CCCn1ccnc1)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1
InChIInChI=1S/C24H33FN4O/c25-21-6-3-5-20(17-21)24(10-1-2-11-24)18-28-14-8-22(9-15-28)27-23(30)7-4-13-29-16-12-26-19-29/h3,5-6,12,16-17,19,22H,1-2,4,7-11,13-15,18H2,(H,27,30)
InChIKeyPEJUKYFSLJNCCR-UHFFFAOYSA-N
XLogP3.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-pyridin-2-ylacetamide
CID 92577364
(2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 95853093
4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide
CID 125158263
3-methoxy-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]propanamide
CID 92557513
N-[1-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 95853165
1-(3-fluorophenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 37423053
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide
CID 110245179
2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide
CID 110233894
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide
CID 110480296
2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47101279
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91797143

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide?
The IUPAC name of N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide (CID 95853122) is N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide.
What is the SMILES notation for N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide?
The canonical SMILES for N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide is O=C(CCCn1ccnc1)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1.
What is the InChIKey of N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide?
The InChIKey is PEJUKYFSLJNCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN4O/c25-21-6-3-5-20(17-21)24(10-1-2-11-24)18-28-14-8-22(9-15-28)27-23(30)7-4-13-29-16-12-26-19-29/h3,5-6,12,16-17,19,22H,1-2,4,7-11,13-15,18H2,(H,27,30).
What are the key properties of N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide?
N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide has a molecular weight of 412.55 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide is sourced from PubChem (CID 95853122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).