(3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide

C23H27N3O2 — CID 9081500

IUPAC(3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C23H27N3O2/c27-22(25-21-14-6-9-17-8-4-5-13-20(17)21)18-10-7-15-26(16-18)23(28)24-19-11-2-1-3-12-19/h1-5,8,11-13,18,21H,6-7,9-10,14-16H2,(H,24,28)(H,25,27)/t18-,21+/m0/s1
InChIKeyGEKPYFDBCPNZTH-GHTZIAJQSA-N
MW377.49 g/mol
LogP4.12
Rot. Bonds3

About (3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide

(3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide (PubChem CID 9081500) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide
PubChem CID9081500
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C23H27N3O2/c27-22(25-21-14-6-9-17-8-4-5-13-20(17)21)18-10-7-15-26(16-18)23(28)24-19-11-2-1-3-12-19/h1-5,8,11-13,18,21H,6-7,9-10,14-16H2,(H,24,28)(H,25,27)/t18-,21+/m0/s1
InChIKeyGEKPYFDBCPNZTH-GHTZIAJQSA-N
XLogP4.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
(3S)-1-(benzenesulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 35763626
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
CID 110882568
4-(benzenesulfonyl)-1-N-(4-methylphenyl)-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide
CID 134085085
(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116250
1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide
CID 55533928
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55561482
1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
CID 24614563
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide (CID 9081500) is (3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide is O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide?
The InChIKey is GEKPYFDBCPNZTH-GHTZIAJQSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(25-21-14-6-9-17-8-4-5-13-20(17)21)18-10-7-15-26(16-18)23(28)24-19-11-2-1-3-12-19/h1-5,8,11-13,18,21H,6-7,9-10,14-16H2,(H,24,28)(H,25,27)/t18-,21+/m0/s1.
What are the key properties of (3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide?
(3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 9081500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).