[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone

C18H25FN2O — CID 97325169

IUPAC[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone
SMILESNC[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1
InChIInChI=1S/C18H25FN2O/c19-16-7-5-15(6-8-16)18(9-1-2-10-18)17(22)21-11-3-4-14(12-20)13-21/h5-8,14H,1-4,9-13,20H2/t14-/m0/s1
InChIKeyNFRIUXQPXPHMQU-AWEZNQCLSA-N
MW304.41 g/mol
LogP2.83
Rot. Bonds3

About [(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone

[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone (PubChem CID 97325169) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is [(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone.

Molecular Properties

Compound Name[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone
PubChem CID97325169
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone
SMILESNC[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1
InChIInChI=1S/C18H25FN2O/c19-16-7-5-15(6-8-16)18(9-1-2-10-18)17(22)21-11-3-4-14(12-20)13-21/h5-8,14H,1-4,9-13,20H2/t14-/m0/s1
InChIKeyNFRIUXQPXPHMQU-AWEZNQCLSA-N
XLogP2.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398088
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride
CID 119486719
N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide
CID 49352658
[(3R)-3-aminopyrrolidin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 119409516
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone
CID 119486633
(3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride
CID 119380404
[1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546090
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 120743266
(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59084329
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119240020
[1-(4-chlorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396144
N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 56812467

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone?
The IUPAC name of [(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone (CID 97325169) is [(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone.
What is the SMILES notation for [(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone?
The canonical SMILES for [(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone is NC[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1.
What is the InChIKey of [(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone?
The InChIKey is NFRIUXQPXPHMQU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-16-7-5-15(6-8-16)18(9-1-2-10-18)17(22)21-11-3-4-14(12-20)13-21/h5-8,14H,1-4,9-13,20H2/t14-/m0/s1.
What are the key properties of [(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone?
[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone has a molecular weight of 304.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone is sourced from PubChem (CID 97325169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).