1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide

C26H41N3O — CID 45210433

IUPAC1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESC=C(C)CCC(C)N1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1
InChIInChI=1S/C26H41N3O/c1-21(2)9-10-22(3)28-19-14-25(15-20-28)29-17-12-24(13-18-29)26(30)27-16-11-23-7-5-4-6-8-23/h4-8,22,24-25H,1,9-20H2,2-3H3,(H,27,30)
InChIKeyYOPKSOBTIYZVAH-UHFFFAOYSA-N
MW411.63 g/mol
LogP4.27
Rot. Bonds9

About 1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide

1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 45210433) has the molecular formula C26H41N3O and a molecular weight of 411.63 g/mol. Its IUPAC name is 1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID45210433
Molecular FormulaC26H41N3O
Molecular Weight411.63 g/mol
Exact Mass411.32
IUPAC Name1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESC=C(C)CCC(C)N1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1
InChIInChI=1S/C26H41N3O/c1-21(2)9-10-22(3)28-19-14-25(15-20-28)29-17-12-24(13-18-29)26(30)27-16-11-23-7-5-4-6-8-23/h4-8,22,24-25H,1,9-20H2,2-3H3,(H,27,30)
InChIKeyYOPKSOBTIYZVAH-UHFFFAOYSA-N
XLogP4.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.63
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45209776
1-[1-[(3S)-3-hydroxybutyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25295127
1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881318
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881314
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693509
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 29028022
N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 59279121
N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42240976
N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 28767990
1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25456452

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 45210433) is 1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide is C=C(C)CCC(C)N1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is YOPKSOBTIYZVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O/c1-21(2)9-10-22(3)28-19-14-25(15-20-28)29-17-12-24(13-18-29)26(30)27-16-11-23-7-5-4-6-8-23/h4-8,22,24-25H,1,9-20H2,2-3H3,(H,27,30).
What are the key properties of 1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 411.63 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 45210433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).