N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide

C22H35N3O2 — CID 55473682

IUPACN-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESO=C(NCCCOC1CCCCC1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H35N3O2/c26-22(23-13-7-19-27-21-10-5-2-6-11-21)25-17-15-24(16-18-25)14-12-20-8-3-1-4-9-20/h1,3-4,8-9,21H,2,5-7,10-19H2,(H,23,26)
InChIKeyLNCMRGIAIJTNHV-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.30
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide

N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 55473682) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID55473682
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESO=C(NCCCOC1CCCCC1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H35N3O2/c26-22(23-13-7-19-27-21-10-5-2-6-11-21)25-17-15-24(16-18-25)14-12-20-8-3-1-4-9-20/h1,3-4,8-9,21H,2,5-7,10-19H2,(H,23,26)
InChIKeyLNCMRGIAIJTNHV-UHFFFAOYSA-N
XLogP3.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-N-(3-cyclohexyloxypropyl)-1,4-diazepane-1-carboxamide
CID 55473586
4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide
CID 55909232
4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110171
4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 97039182
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111134639
2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate
CID 171816273
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
CID 108883110
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 75889826
1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide
CID 39950504

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide (CID 55473682) is N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide is O=C(NCCCOC1CCCCC1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is LNCMRGIAIJTNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c26-22(23-13-7-19-27-21-10-5-2-6-11-21)25-17-15-24(16-18-25)14-12-20-8-3-1-4-9-20/h1,3-4,8-9,21H,2,5-7,10-19H2,(H,23,26).
What are the key properties of N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 373.54 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 55473682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).