N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide

C17H25FN2O2 — CID 110027378

IUPACN-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide
SMILESCC(CC(O)c1ccc(F)cc1)NC(=O)C1(C)CCCCN1
InChIInChI=1S/C17H25FN2O2/c1-12(11-15(21)13-5-7-14(18)8-6-13)20-16(22)17(2)9-3-4-10-19-17/h5-8,12,15,19,21H,3-4,9-11H2,1-2H3,(H,20,22)
InChIKeyYHIYPQKFPAXCLP-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.29
Rot. Bonds5

About N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide

N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide (PubChem CID 110027378) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide
PubChem CID110027378
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide
SMILESCC(CC(O)c1ccc(F)cc1)NC(=O)C1(C)CCCCN1
InChIInChI=1S/C17H25FN2O2/c1-12(11-15(21)13-5-7-14(18)8-6-13)20-16(22)17(2)9-3-4-10-19-17/h5-8,12,15,19,21H,3-4,9-11H2,1-2H3,(H,20,22)
InChIKeyYHIYPQKFPAXCLP-UHFFFAOYSA-N
XLogP2.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenyl-2-decanoylamino-3-morpholino-1-propanol
CID 3129
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
CID 10045162
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
CID 11143662
DL-threo-PDMP
CID 11957678
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
CID 10971504
(2S)-N-[(2S)-1-[butyl(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-4-methylpentanamide
CID 9805486
D-erythro-MAPP
CID 124735
N-[(1R,2R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide
CID 6610216
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]dodecanamide
CID 11046702
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
d-threo-PDMP
CID 16219895
Pipamperone metabolite M-II
CID 169501855

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide (CID 110027378) is N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide is CC(CC(O)c1ccc(F)cc1)NC(=O)C1(C)CCCCN1.
What is the InChIKey of N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide?
The InChIKey is YHIYPQKFPAXCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12(11-15(21)13-5-7-14(18)8-6-13)20-16(22)17(2)9-3-4-10-19-17/h5-8,12,15,19,21H,3-4,9-11H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide?
N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 110027378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).