N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide

C22H34FN5 — CID 134091917

IUPACN'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide
SMILESN[C@H]1CCCC[C@@H]1/N=C(/Nc1cccc(F)c1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C22H34FN5/c23-17-6-5-7-18(16-17)25-22(26-21-9-2-1-8-20(21)24)28-14-10-19(11-15-28)27-12-3-4-13-27/h5-7,16,19-21H,1-4,8-15,24H2,(H,25,26)/t20-,21-/m0/s1
InChIKeyDDLSVPCJSXGBCI-SFTDATJTSA-N
MW387.55 g/mol
LogP3.42
Rot. Bonds3

About N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide

N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide (PubChem CID 134091917) has the molecular formula C22H34FN5 and a molecular weight of 387.55 g/mol. Its IUPAC name is N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide
PubChem CID134091917
Molecular FormulaC22H34FN5
Molecular Weight387.55 g/mol
Exact Mass387.28
IUPAC NameN'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide
SMILESN[C@H]1CCCC[C@@H]1/N=C(/Nc1cccc(F)c1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C22H34FN5/c23-17-6-5-7-18(16-17)25-22(26-21-9-2-1-8-20(21)24)28-14-10-19(11-15-28)27-12-3-4-13-27/h5-7,16,19-21H,1-4,8-15,24H2,(H,25,26)/t20-,21-/m0/s1
InChIKeyDDLSVPCJSXGBCI-SFTDATJTSA-N
XLogP3.42
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-2-methylpiperidine-1-carboximidamide
CID 134091927
2-[(1S,2S)-2-aminocyclohexyl]-1-cycloheptyl-3-(3-fluorophenyl)guanidine
CID 134091911
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
CID 108893994
N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 72931917
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 175733290
N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide
CID 134099738
N-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 57320892
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523

Frequently Asked Questions

What is the IUPAC name of N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide (CID 134091917) is N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide is N[C@H]1CCCC[C@@H]1/N=C(/Nc1cccc(F)c1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide?
The InChIKey is DDLSVPCJSXGBCI-SFTDATJTSA-N. The full InChI is InChI=1S/C22H34FN5/c23-17-6-5-7-18(16-17)25-22(26-21-9-2-1-8-20(21)24)28-14-10-19(11-15-28)27-12-3-4-13-27/h5-7,16,19-21H,1-4,8-15,24H2,(H,25,26)/t20-,21-/m0/s1.
What are the key properties of N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide?
N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide has a molecular weight of 387.55 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 134091917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).