N-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide

C22H34N4O2 — CID 109425898

IUPACN-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide
SMILESC/N=C(\NCCC(=O)NC1CCCCC1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C22H34N4O2/c1-23-22(24-15-12-21(27)25-18-8-4-2-5-9-18)26-16-13-20(14-17-26)28-19-10-6-3-7-11-19/h3,6-7,10-11,18,20H,2,4-5,8-9,12-17H2,1H3,(H,23,24)(H,25,27)
InChIKeyNVKNDPZFPQAGHZ-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.94
Rot. Bonds6

About N-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide

N-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide (PubChem CID 109425898) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide
PubChem CID109425898
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide
SMILESC/N=C(\NCCC(=O)NC1CCCCC1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C22H34N4O2/c1-23-22(24-15-12-21(27)25-18-8-4-2-5-9-18)26-16-13-20(14-17-26)28-19-10-6-3-7-11-19/h3,6-7,10-11,18,20H,2,4-5,8-9,12-17H2,1H3,(H,23,24)(H,25,27)
InChIKeyNVKNDPZFPQAGHZ-UHFFFAOYSA-N
XLogP2.94
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.94
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'}

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Related Compounds

ethyl 4-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]butanoate
CID 109426410
N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide
CID 109425492
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109426654
N-[3-(dimethylamino)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427771
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
ethyl 7-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]heptanoate;hydroiodide
CID 109427718
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109426732
N'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide
CID 109428079
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426731

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide (CID 109425898) is N-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide is C/N=C(\NCCC(=O)NC1CCCCC1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide?
The InChIKey is NVKNDPZFPQAGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-23-22(24-15-12-21(27)25-18-8-4-2-5-9-18)26-16-13-20(14-17-26)28-19-10-6-3-7-11-19/h3,6-7,10-11,18,20H,2,4-5,8-9,12-17H2,1H3,(H,23,24)(H,25,27).
What are the key properties of N-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide?
N-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide has a molecular weight of 386.54 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide is sourced from PubChem (CID 109425898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).