N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexanecarboxamide

C16H30N2O — CID 16895432

IUPACN-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexanecarboxamide
SMILESCC(C)N1CCC(CNC(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-13(2)18-10-8-14(9-11-18)12-17-16(19)15-6-4-3-5-7-15/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyBAUYIZZGERVRHZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds4

About N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexanecarboxamide

N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexanecarboxamide (PubChem CID 16895432) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexanecarboxamide
PubChem CID16895432
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexanecarboxamide
SMILESCC(C)N1CCC(CNC(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-13(2)18-10-8-14(9-11-18)12-17-16(19)15-6-4-3-5-7-15/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyBAUYIZZGERVRHZ-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexanecarboxamide (CID 16895432) is N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexanecarboxamide is CC(C)N1CCC(CNC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexanecarboxamide?
The InChIKey is BAUYIZZGERVRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)18-10-8-14(9-11-18)12-17-16(19)15-6-4-3-5-7-15/h13-15H,3-12H2,1-2H3,(H,17,19).
What are the key properties of N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexanecarboxamide?
N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexanecarboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 16895432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).