N-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane

C25H46N2O — CID 158713327

IUPACN-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane
SMILESCC(C)(C)NC(=O)C1(CC2CC2)CCNCC1.CC1(CC2CC2)CCCCC1
InChIInChI=1S/C14H26N2O.C11H20/c1-13(2,3)16-12(17)14(10-11-4-5-11)6-8-15-9-7-14;1-11(9-10-5-6-10)7-3-2-4-8-11/h11,15H,4-10H2,1-3H3,(H,16,17);10H,2-9H2,1H3
InChIKeyIIZQGZCKGGSZFV-UHFFFAOYSA-N
MW390.66 g/mol
LogP5.83
Rot. Bonds5

About N-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane

N-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane (PubChem CID 158713327) has the molecular formula C25H46N2O and a molecular weight of 390.66 g/mol. Its IUPAC name is N-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane.

Molecular Properties

Compound NameN-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane
PubChem CID158713327
Molecular FormulaC25H46N2O
Molecular Weight390.66 g/mol
Exact Mass390.36
IUPAC NameN-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane
SMILESCC(C)(C)NC(=O)C1(CC2CC2)CCNCC1.CC1(CC2CC2)CCCCC1
InChIInChI=1S/C14H26N2O.C11H20/c1-13(2,3)16-12(17)14(10-11-4-5-11)6-8-15-9-7-14;1-11(9-10-5-6-10)7-3-2-4-8-11/h11,15H,4-10H2,1-3H3,(H,16,17);10H,2-9H2,1H3
InChIKeyIIZQGZCKGGSZFV-UHFFFAOYSA-N
XLogP5.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(1-methylcyclohexyl)methyl]-2-piperidin-4-ylacetamide
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4-(cyclobutylmethyl)azepane-4-carboxamide
CID 84677931
4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)piperidine-4-carboxamide
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N-cyclooctyl-4-ethylpiperidine-4-carboxamide
CID 63127199

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane?
The IUPAC name of N-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane (CID 158713327) is N-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane.
What is the SMILES notation for N-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane?
The canonical SMILES for N-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane is CC(C)(C)NC(=O)C1(CC2CC2)CCNCC1.CC1(CC2CC2)CCCCC1.
What is the InChIKey of N-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane?
The InChIKey is IIZQGZCKGGSZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.C11H20/c1-13(2,3)16-12(17)14(10-11-4-5-11)6-8-15-9-7-14;1-11(9-10-5-6-10)7-3-2-4-8-11/h11,15H,4-10H2,1-3H3,(H,16,17);10H,2-9H2,1H3.
What are the key properties of N-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane?
N-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane has a molecular weight of 390.66 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane is sourced from PubChem (CID 158713327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).