N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H24N2O — CID 47116639

IUPACN-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCN1CCC(NC(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C17H24N2O/c1-19-10-8-16(9-11-19)18-17(20)15-7-6-13-4-2-3-5-14(13)12-15/h6-7,12,16H,2-5,8-11H2,1H3,(H,18,20)
InChIKeySMVFAKWTCCYROH-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.39
Rot. Bonds2

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

N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 47116639) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID47116639
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCN1CCC(NC(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C17H24N2O/c1-19-10-8-16(9-11-19)18-17(20)15-7-6-13-4-2-3-5-14(13)12-15/h6-7,12,16H,2-5,8-11H2,1H3,(H,18,20)
InChIKeySMVFAKWTCCYROH-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide
CID 89070568
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
N-cyclopropyl-2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 82117881
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
2-methylidene-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 126607254
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
N-[(1S,2R)-2-methylcyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9272837
1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47043586
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 155022118
N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 138021728

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 47116639) is N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CN1CCC(NC(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is SMVFAKWTCCYROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19-10-8-16(9-11-19)18-17(20)15-7-6-13-4-2-3-5-14(13)12-15/h6-7,12,16H,2-5,8-11H2,1H3,(H,18,20).
What are the key properties of N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 47116639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).