N-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C16H29N3O — CID 66469981

IUPACN-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCN1CCCC(NC(=O)C2CCC3CCCCC3N2)C1
InChIInChI=1S/C16H29N3O/c1-19-10-4-6-13(11-19)17-16(20)15-9-8-12-5-2-3-7-14(12)18-15/h12-15,18H,2-11H2,1H3,(H,17,20)
InChIKeyJHBVMAFXHGBDFJ-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.51
Rot. Bonds2

About N-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 66469981) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID66469981
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCN1CCCC(NC(=O)C2CCC3CCCCC3N2)C1
InChIInChI=1S/C16H29N3O/c1-19-10-4-6-13(11-19)17-16(20)15-9-8-12-5-2-3-7-14(12)18-15/h12-15,18H,2-11H2,1H3,(H,17,20)
InChIKeyJHBVMAFXHGBDFJ-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 66469981) is N-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is CN1CCCC(NC(=O)C2CCC3CCCCC3N2)C1.
What is the InChIKey of N-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is JHBVMAFXHGBDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-19-10-4-6-13(11-19)17-16(20)15-9-8-12-5-2-3-7-14(12)18-15/h12-15,18H,2-11H2,1H3,(H,17,20).
What are the key properties of N-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 279.43 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 66469981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).