(2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide

C20H30N2O — CID 120640719

IUPAC(2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
SMILESCC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CCN[C@@H](C)C1)CCC2
InChIInChI=1S/C20H30N2O/c1-13(2)16-8-7-15-5-4-6-19(18(15)12-16)22-20(23)17-9-10-21-14(3)11-17/h7-8,12-14,17,19,21H,4-6,9-11H2,1-3H3,(H,22,23)/t14-,17-,19+/m0/s1
InChIKeyAVVBMZWQIZRVRY-UCLAIMLFSA-N
MW314.47 g/mol
LogP3.69
Rot. Bonds3

About (2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide (PubChem CID 120640719) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
PubChem CID120640719
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name(2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
SMILESCC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CCN[C@@H](C)C1)CCC2
InChIInChI=1S/C20H30N2O/c1-13(2)16-8-7-15-5-4-6-19(18(15)12-16)22-20(23)17-9-10-21-14(3)11-17/h7-8,12-14,17,19,21H,4-6,9-11H2,1-3H3,(H,22,23)/t14-,17-,19+/m0/s1
InChIKeyAVVBMZWQIZRVRY-UCLAIMLFSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[7-(1-aminoethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 82176169
4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid
CID 122008277
4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid
CID 122008259
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122032353
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 120993751
(2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide
CID 120625253
2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 167915265
2-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 106738709
N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-pyridin-3-ylacetamide
CID 126768985
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 138016937

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide (CID 120640719) is (2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide is CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CCN[C@@H](C)C1)CCC2.
What is the InChIKey of (2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The InChIKey is AVVBMZWQIZRVRY-UCLAIMLFSA-N. The full InChI is InChI=1S/C20H30N2O/c1-13(2)16-8-7-15-5-4-6-19(18(15)12-16)22-20(23)17-9-10-21-14(3)11-17/h7-8,12-14,17,19,21H,4-6,9-11H2,1-3H3,(H,22,23)/t14-,17-,19+/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide has a molecular weight of 314.47 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 120640719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).