(1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C24H31N3O — CID 52510919

IUPAC(1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCN(C(=O)[C@H]1CCCc2ccccc21)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C24H31N3O/c1-26(24(28)23-11-6-8-19-7-2-3-10-22(19)23)21-13-17-27(18-14-21)16-12-20-9-4-5-15-25-20/h2-5,7,9-10,15,21,23H,6,8,11-14,16-18H2,1H3/t23-/m0/s1
InChIKeyCPZYNABWDYBWCR-QHCPKHFHSA-N
MW377.53 g/mol
LogP3.67
Rot. Bonds5

About (1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 52510919) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is (1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID52510919
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name(1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCN(C(=O)[C@H]1CCCc2ccccc21)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C24H31N3O/c1-26(24(28)23-11-6-8-19-7-2-3-10-22(19)23)21-13-17-27(18-14-21)16-12-20-9-4-5-15-25-20/h2-5,7,9-10,15,21,23H,6,8,11-14,16-18H2,1H3/t23-/m0/s1
InChIKeyCPZYNABWDYBWCR-QHCPKHFHSA-N
XLogP3.67
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119868586
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119868587
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119868585
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide
CID 146091210
N-methyl-N-piperidin-4-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43602044
4-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]butanamide
CID 119868618
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119868611
tert-butyl N-methyl-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]carbamate
CID 71977139
N-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1H-pyridine-2-carboxamide
CID 138025288
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride
CID 119868605
N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
CID 60609216
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 76878807

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 52510919) is (1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CN(C(=O)[C@H]1CCCc2ccccc21)C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of (1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is CPZYNABWDYBWCR-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H31N3O/c1-26(24(28)23-11-6-8-19-7-2-3-10-22(19)23)21-13-17-27(18-14-21)16-12-20-9-4-5-15-25-20/h2-5,7,9-10,15,21,23H,6,8,11-14,16-18H2,1H3/t23-/m0/s1.
What are the key properties of (1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 52510919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).