N-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide

C17H30N2O — CID 21061044

IUPACN-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1(C2(C)C=CCCC2)CCNCC1
InChIInChI=1S/C17H30N2O/c1-15(2,3)19-14(20)17(10-12-18-13-11-17)16(4)8-6-5-7-9-16/h6,8,18H,5,7,9-13H2,1-4H3,(H,19,20)
InChIKeyNOJODZAQRALYKE-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.02
Rot. Bonds2

About N-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide

N-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide (PubChem CID 21061044) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide
PubChem CID21061044
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1(C2(C)C=CCCC2)CCNCC1
InChIInChI=1S/C17H30N2O/c1-15(2,3)19-14(20)17(10-12-18-13-11-17)16(4)8-6-5-7-9-16/h6,8,18H,5,7,9-13H2,1-4H3,(H,19,20)
InChIKeyNOJODZAQRALYKE-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide (CID 21061044) is N-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide is CC(C)(C)NC(=O)C1(C2(C)C=CCCC2)CCNCC1.
What is the InChIKey of N-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide?
The InChIKey is NOJODZAQRALYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-15(2,3)19-14(20)17(10-12-18-13-11-17)16(4)8-6-5-7-9-16/h6,8,18H,5,7,9-13H2,1-4H3,(H,19,20).
What are the key properties of N-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide?
N-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 21061044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).