1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide

C17H33N3O — CID 115441631

IUPAC1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-13(2)20-10-6-15(7-11-20)19-16(21)17(12-18)8-4-14(3)5-9-17/h13-15H,4-12,18H2,1-3H3,(H,19,21)
InChIKeyJDUQPKFMOMSIQH-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.13
Rot. Bonds4

About 1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide

1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide (PubChem CID 115441631) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
PubChem CID115441631
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-13(2)20-10-6-15(7-11-20)19-16(21)17(12-18)8-4-14(3)5-9-17/h13-15H,4-12,18H2,1-3H3,(H,19,21)
InChIKeyJDUQPKFMOMSIQH-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide (CID 115441631) is 1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)NC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is JDUQPKFMOMSIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-13(2)20-10-6-15(7-11-20)19-16(21)17(12-18)8-4-14(3)5-9-17/h13-15H,4-12,18H2,1-3H3,(H,19,21).
What are the key properties of 1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide?
1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115441631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).