N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide

C24H37N5O — CID 111806060

IUPACN'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
SMILESO=C(C1CCCC1)N1CCN(CC/N=C(\Nc2ccccc2)N2CCCCC2)CC1
InChIInChI=1S/C24H37N5O/c30-23(21-9-5-6-10-21)28-19-17-27(18-20-28)16-13-25-24(29-14-7-2-8-15-29)26-22-11-3-1-4-12-22/h1,3-4,11-12,21H,2,5-10,13-20H2,(H,25,26)
InChIKeyKVKSTFRRDAKPNR-UHFFFAOYSA-N
MW411.59 g/mol
LogP3.27
Rot. Bonds5

About N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide

N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide (PubChem CID 111806060) has the molecular formula C24H37N5O and a molecular weight of 411.59 g/mol. Its IUPAC name is N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
PubChem CID111806060
Molecular FormulaC24H37N5O
Molecular Weight411.59 g/mol
Exact Mass411.30
IUPAC NameN'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
SMILESO=C(C1CCCC1)N1CCN(CC/N=C(\Nc2ccccc2)N2CCCCC2)CC1
InChIInChI=1S/C24H37N5O/c30-23(21-9-5-6-10-21)28-19-17-27(18-20-28)16-13-25-24(29-14-7-2-8-15-29)26-22-11-3-1-4-12-22/h1,3-4,11-12,21H,2,5-10,13-20H2,(H,25,26)
InChIKeyKVKSTFRRDAKPNR-UHFFFAOYSA-N
XLogP3.27
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 119147661
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111057213
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine
CID 111811866
2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111834922
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
1-benzyl-2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 111546094
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine
CID 111811838
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
N-[3-[[anilino(piperidin-1-yl)methylidene]amino]propyl]benzamide;hydroiodide
CID 111094094
N'-[2-(benzylsulfamoyl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111062413
N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
CID 111035250

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide (CID 111806060) is N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide is O=C(C1CCCC1)N1CCN(CC/N=C(\Nc2ccccc2)N2CCCCC2)CC1.
What is the InChIKey of N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide?
The InChIKey is KVKSTFRRDAKPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O/c30-23(21-9-5-6-10-21)28-19-17-27(18-20-28)16-13-25-24(29-14-7-2-8-15-29)26-22-11-3-1-4-12-22/h1,3-4,11-12,21H,2,5-10,13-20H2,(H,25,26).
What are the key properties of N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide?
N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide has a molecular weight of 411.59 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 111806060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).