(1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride

C20H30ClFN2O2 — CID 163333661

IUPAC(1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride
SMILESCO[C@H]1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCCC2)CC[C@@H]1N.Cl
InChIInChI=1S/C20H29FN2O2.ClH/c1-25-18-11-14(7-8-17(18)22)19(24)23-13-20(9-2-3-10-20)15-5-4-6-16(21)12-15;/h4-6,12,14,17-18H,2-3,7-11,13,22H2,1H3,(H,23,24);1H/t14-,17-,18-;/m0./s1
InChIKeyLROCQZQTLHLNPH-NZZVAKLFSA-N
MW384.92 g/mol
LogP3.32
Rot. Bonds5

About (1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride

(1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride (PubChem CID 163333661) has the molecular formula C20H30ClFN2O2 and a molecular weight of 384.92 g/mol. Its IUPAC name is (1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride
PubChem CID163333661
Molecular FormulaC20H30ClFN2O2
Molecular Weight384.92 g/mol
Exact Mass384.20
IUPAC Name(1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride
SMILESCO[C@H]1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCCC2)CC[C@@H]1N.Cl
InChIInChI=1S/C20H29FN2O2.ClH/c1-25-18-11-14(7-8-17(18)22)19(24)23-13-20(9-2-3-10-20)15-5-4-6-16(21)12-15;/h4-6,12,14,17-18H,2-3,7-11,13,22H2,1H3,(H,23,24);1H/t14-,17-,18-;/m0./s1
InChIKeyLROCQZQTLHLNPH-NZZVAKLFSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.92
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

(1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide
CID 155504602
3-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119799668
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 135113473
3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765192
3-amino-N-[(1-phenylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 119698154
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 110482446
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
methyl 1-[N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111252949
(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625677
(4aR,6S,8aR)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide
CID 155503313
3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119786274
(1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 155940030

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of (1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride (CID 163333661) is (1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for (1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride is CO[C@H]1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCCC2)CC[C@@H]1N.Cl.
What is the InChIKey of (1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride?
The InChIKey is LROCQZQTLHLNPH-NZZVAKLFSA-N. The full InChI is InChI=1S/C20H29FN2O2.ClH/c1-25-18-11-14(7-8-17(18)22)19(24)23-13-20(9-2-3-10-20)15-5-4-6-16(21)12-15;/h4-6,12,14,17-18H,2-3,7-11,13,22H2,1H3,(H,23,24);1H/t14-,17-,18-;/m0./s1.
What are the key properties of (1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride?
(1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride has a molecular weight of 384.92 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 163333661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).