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

C23H35N5O — CID 119147661

IUPACN'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
SMILESO=C(C1CCC1)N1CCN(CC/N=C(\Nc2ccccc2)N2CCCCC2)CC1
InChIInChI=1S/C23H35N5O/c29-22(20-8-7-9-20)27-18-16-26(17-19-27)15-12-24-23(28-13-5-2-6-14-28)25-21-10-3-1-4-11-21/h1,3-4,10-11,20H,2,5-9,12-19H2,(H,24,25)
InChIKeyYQXWYTBLBYWBRB-UHFFFAOYSA-N
MW397.57 g/mol
LogP2.88
Rot. Bonds5

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

N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide (PubChem CID 119147661) has the molecular formula C23H35N5O and a molecular weight of 397.57 g/mol. Its IUPAC name is N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
PubChem CID119147661
Molecular FormulaC23H35N5O
Molecular Weight397.57 g/mol
Exact Mass397.28
IUPAC NameN'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
SMILESO=C(C1CCC1)N1CCN(CC/N=C(\Nc2ccccc2)N2CCCCC2)CC1
InChIInChI=1S/C23H35N5O/c29-22(20-8-7-9-20)27-18-16-26(17-19-27)15-12-24-23(28-13-5-2-6-14-28)25-21-10-3-1-4-11-21/h1,3-4,10-11,20H,2,5-9,12-19H2,(H,24,25)
InChIKeyYQXWYTBLBYWBRB-UHFFFAOYSA-N
XLogP2.88
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 52.88
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-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111806060
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-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine
CID 111811838
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111834922
N-[3-[[anilino(piperidin-1-yl)methylidene]amino]propyl]benzamide;hydroiodide
CID 111094094
1-benzyl-2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 111546094
N'-[2-(benzylsulfamoyl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111062413
N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
CID 111035250
N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide
CID 111061692

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide (CID 119147661) is N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide is O=C(C1CCC1)N1CCN(CC/N=C(\Nc2ccccc2)N2CCCCC2)CC1.
What is the InChIKey of N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide?
The InChIKey is YQXWYTBLBYWBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O/c29-22(20-8-7-9-20)27-18-16-26(17-19-27)15-12-24-23(28-13-5-2-6-14-28)25-21-10-3-1-4-11-21/h1,3-4,10-11,20H,2,5-9,12-19H2,(H,24,25).
What are the key properties of N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide?
N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide has a molecular weight of 397.57 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 119147661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).