N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide

C26H38N4O3 — CID 55634615

IUPACN-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide
SMILESO=C(CCc1ccccc1)N1CCC(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)CC1
InChIInChI=1S/C26H38N4O3/c31-24(12-11-21-7-3-1-4-8-21)28-15-13-22(14-16-28)25(32)29-17-19-30(20-18-29)26(33)27-23-9-5-2-6-10-23/h1,3-4,7-8,22-23H,2,5-6,9-20H2,(H,27,33)
InChIKeyRKGJXSLCTURJBC-UHFFFAOYSA-N
MW454.62 g/mol
LogP3.04
Rot. Bonds5

About N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide

N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide (PubChem CID 55634615) has the molecular formula C26H38N4O3 and a molecular weight of 454.62 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide
PubChem CID55634615
Molecular FormulaC26H38N4O3
Molecular Weight454.62 g/mol
Exact Mass454.29
IUPAC NameN-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide
SMILESO=C(CCc1ccccc1)N1CCC(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)CC1
InChIInChI=1S/C26H38N4O3/c31-24(12-11-21-7-3-1-4-8-21)28-15-13-22(14-16-28)25(32)29-17-19-30(20-18-29)26(33)27-23-9-5-2-6-10-23/h1,3-4,7-8,22-23H,2,5-6,9-20H2,(H,27,33)
InChIKeyRKGJXSLCTURJBC-UHFFFAOYSA-N
XLogP3.04
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55916326
1-[4-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119487743
N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810944
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
N-cyclopentyl-4-[3-(3-fluorophenyl)propanoyl]-1,4-diazepane-1-carboxamide
CID 110811802
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
N-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810952
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
N,N-diethyl-2-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55634289
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide (CID 55634615) is N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide is O=C(CCc1ccccc1)N1CCC(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide?
The InChIKey is RKGJXSLCTURJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3/c31-24(12-11-21-7-3-1-4-8-21)28-15-13-22(14-16-28)25(32)29-17-19-30(20-18-29)26(33)27-23-9-5-2-6-10-23/h1,3-4,7-8,22-23H,2,5-6,9-20H2,(H,27,33).
What are the key properties of N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide has a molecular weight of 454.62 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 55634615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).