N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide

C17H23FN2O2 — CID 110896530

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)N1CCC(CO)CC1
InChIInChI=1S/C17H23FN2O2/c18-15-3-1-14(2-4-15)17(7-8-17)12-19-16(22)20-9-5-13(11-21)6-10-20/h1-4,13,21H,5-12H2,(H,19,22)
InChIKeyAAHKCBJIXQAGET-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.27
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110896530) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110896530
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)N1CCC(CO)CC1
InChIInChI=1S/C17H23FN2O2/c18-15-3-1-14(2-4-15)17(7-8-17)12-19-16(22)20-9-5-13(11-21)6-10-20/h1-4,13,21H,5-12H2,(H,19,22)
InChIKeyAAHKCBJIXQAGET-UHFFFAOYSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443732
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111444284
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
CID 113214294
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 113214326
4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214295
(3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide
CID 94656646
(2S)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427973
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 155949071
3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443730
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 75520862
3-(hydroxymethyl)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboxamide
CID 110895517
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113214312

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 110896530) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCC1(c2ccc(F)cc2)CC1)N1CCC(CO)CC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is AAHKCBJIXQAGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-15-3-1-14(2-4-15)17(7-8-17)12-19-16(22)20-9-5-13(11-21)6-10-20/h1-4,13,21H,5-12H2,(H,19,22).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110896530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).