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

C25H39N5O2 — CID 109426654

IUPACN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
SMILESC/N=C(\NCCN1CCN(C(=O)C2CCCC2)CC1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C25H39N5O2/c1-26-25(30-14-11-23(12-15-30)32-22-9-3-2-4-10-22)27-13-16-28-17-19-29(20-18-28)24(31)21-7-5-6-8-21/h2-4,9-10,21,23H,5-8,11-20H2,1H3,(H,26,27)
InChIKeyWYQSIFHZGYIRTO-UHFFFAOYSA-N
MW441.62 g/mol
LogP2.44
Rot. Bonds6

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

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide (PubChem CID 109426654) has the molecular formula C25H39N5O2 and a molecular weight of 441.62 g/mol. Its IUPAC name is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
PubChem CID109426654
Molecular FormulaC25H39N5O2
Molecular Weight441.62 g/mol
Exact Mass441.31
IUPAC NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
SMILESC/N=C(\NCCN1CCN(C(=O)C2CCCC2)CC1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C25H39N5O2/c1-26-25(30-14-11-23(12-15-30)32-22-9-3-2-4-10-22)27-13-16-28-17-19-29(20-18-28)24(31)21-7-5-6-8-21/h2-4,9-10,21,23H,5-8,11-20H2,1H3,(H,26,27)
InChIKeyWYQSIFHZGYIRTO-UHFFFAOYSA-N
XLogP2.44
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide
CID 109425898
N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide
CID 109425492
N-[3-(dimethylamino)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427771
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109426678
N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425491
N'-methyl-4-phenoxy-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 109427767
N-(3-fluoropropyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425403
N'-methyl-N-(3-methylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425993
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426041
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109426732
ethyl 4-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]butanoate
CID 109426410
N-[2-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 109427802

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide?
The IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide (CID 109426654) is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide?
The canonical SMILES for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide is C/N=C(\NCCN1CCN(C(=O)C2CCCC2)CC1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide?
The InChIKey is WYQSIFHZGYIRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O2/c1-26-25(30-14-11-23(12-15-30)32-22-9-3-2-4-10-22)27-13-16-28-17-19-29(20-18-28)24(31)21-7-5-6-8-21/h2-4,9-10,21,23H,5-8,11-20H2,1H3,(H,26,27).
What are the key properties of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide?
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide has a molecular weight of 441.62 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide is sourced from PubChem (CID 109426654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).