4-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide

C15H29N3O — CID 43748932

IUPAC4-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCC1CN(C)C(C)CC1NC1CCC(C(N)=O)CC1
InChIInChI=1S/C15H29N3O/c1-10-9-18(3)11(2)8-14(10)17-13-6-4-12(5-7-13)15(16)19/h10-14,17H,4-9H2,1-3H3,(H2,16,19)
InChIKeyNBMHISJNRVLNKH-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.35
Rot. Bonds3

About 4-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide

4-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 43748932) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID43748932
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCC1CN(C)C(C)CC1NC1CCC(C(N)=O)CC1
InChIInChI=1S/C15H29N3O/c1-10-9-18(3)11(2)8-14(10)17-13-6-4-12(5-7-13)15(16)19/h10-14,17H,4-9H2,1-3H3,(H2,16,19)
InChIKeyNBMHISJNRVLNKH-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide (CID 43748932) is 4-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide is CC1CN(C)C(C)CC1NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is NBMHISJNRVLNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-10-9-18(3)11(2)8-14(10)17-13-6-4-12(5-7-13)15(16)19/h10-14,17H,4-9H2,1-3H3,(H2,16,19).
What are the key properties of 4-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide?
4-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43748932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).