1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide

C14H28N4O — CID 79641518

IUPAC1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide
SMILESCN(C)C1CCCN(C2CCCC(N)(C(N)=O)C2)C1
InChIInChI=1S/C14H28N4O/c1-17(2)12-6-4-8-18(10-12)11-5-3-7-14(16,9-11)13(15)19/h11-12H,3-10,16H2,1-2H3,(H2,15,19)
InChIKeyPNAGYMHBGGDKTP-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.14
Rot. Bonds3

About 1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide

1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide (PubChem CID 79641518) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide
PubChem CID79641518
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide
SMILESCN(C)C1CCCN(C2CCCC(N)(C(N)=O)C2)C1
InChIInChI=1S/C14H28N4O/c1-17(2)12-6-4-8-18(10-12)11-5-3-7-14(16,9-11)13(15)19/h11-12H,3-10,16H2,1-2H3,(H2,15,19)
InChIKeyPNAGYMHBGGDKTP-UHFFFAOYSA-N
XLogP0.14
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide (CID 79641518) is 1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide is CN(C)C1CCCN(C2CCCC(N)(C(N)=O)C2)C1.
What is the InChIKey of 1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide?
The InChIKey is PNAGYMHBGGDKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-17(2)12-6-4-8-18(10-12)11-5-3-7-14(16,9-11)13(15)19/h11-12H,3-10,16H2,1-2H3,(H2,15,19).
What are the key properties of 1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide?
1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79641518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).