N-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

C22H39N3O — CID 45214213

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCC(N2CCCC(C(=O)NCCC3=CCCCC3)C2)CC1
InChIInChI=1S/C22H39N3O/c1-18(2)24-15-11-21(12-16-24)25-14-6-9-20(17-25)22(26)23-13-10-19-7-4-3-5-8-19/h7,18,20-21H,3-6,8-17H2,1-2H3,(H,23,26)
InChIKeyUTXZZQCMHMJXBK-UHFFFAOYSA-N
MW361.57 g/mol
LogP3.58
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 45214213) has the molecular formula C22H39N3O and a molecular weight of 361.57 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID45214213
Molecular FormulaC22H39N3O
Molecular Weight361.57 g/mol
Exact Mass361.31
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCC(N2CCCC(C(=O)NCCC3=CCCCC3)C2)CC1
InChIInChI=1S/C22H39N3O/c1-18(2)24-15-11-21(12-16-24)25-14-6-9-20(17-25)22(26)23-13-10-19-7-4-3-5-8-19/h7,18,20-21H,3-6,8-17H2,1-2H3,(H,23,26)
InChIKeyUTXZZQCMHMJXBK-UHFFFAOYSA-N
XLogP3.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (CID 45214213) is N-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is CC(C)N1CCC(N2CCCC(C(=O)NCCC3=CCCCC3)C2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is UTXZZQCMHMJXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O/c1-18(2)24-15-11-21(12-16-24)25-14-6-9-20(17-25)22(26)23-13-10-19-7-4-3-5-8-19/h7,18,20-21H,3-6,8-17H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 361.57 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 45214213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).