N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide

C17H32N2O — CID 43698522

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2CCNCC2)CC1
InChIInChI=1S/C17H32N2O/c1-4-17(2,3)14-5-7-15(8-6-14)19-16(20)13-9-11-18-12-10-13/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeyQFJQJDCOZSBNTM-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.10
Rot. Bonds4

About N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide

N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide (PubChem CID 43698522) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
PubChem CID43698522
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2CCNCC2)CC1
InChIInChI=1S/C17H32N2O/c1-4-17(2,3)14-5-7-15(8-6-14)19-16(20)13-9-11-18-12-10-13/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeyQFJQJDCOZSBNTM-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide (CID 43698522) is N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide is CCC(C)(C)C1CCC(NC(=O)C2CCNCC2)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide?
The InChIKey is QFJQJDCOZSBNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-17(2,3)14-5-7-15(8-6-14)19-16(20)13-9-11-18-12-10-13/h13-15,18H,4-12H2,1-3H3,(H,19,20).
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide?
N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 43698522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).