5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide

C15H29N3O — CID 62781149

IUPAC5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(N)CC1C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C15H29N3O/c1-11-4-5-12(16)10-14(11)15(19)18(3)13-6-8-17(2)9-7-13/h11-14H,4-10,16H2,1-3H3
InChIKeyHTXOAWVBPFCAAD-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.30
Rot. Bonds2

About 5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide

5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide (PubChem CID 62781149) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
PubChem CID62781149
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(N)CC1C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C15H29N3O/c1-11-4-5-12(16)10-14(11)15(19)18(3)13-6-8-17(2)9-7-13/h11-14H,4-10,16H2,1-3H3
InChIKeyHTXOAWVBPFCAAD-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide (CID 62781149) is 5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide is CC1CCC(N)CC1C(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of 5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is HTXOAWVBPFCAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11-4-5-12(16)10-14(11)15(19)18(3)13-6-8-17(2)9-7-13/h11-14H,4-10,16H2,1-3H3.
What are the key properties of 5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62781149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).