(2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide

C22H27N3O — CID 54335655

IUPAC(2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide
SMILESNC(=O)[C@H]1CC(Nc2ccccc2)CCN1C1CCCc2ccccc21
InChIInChI=1S/C22H27N3O/c23-22(26)21-15-18(24-17-9-2-1-3-10-17)13-14-25(21)20-12-6-8-16-7-4-5-11-19(16)20/h1-5,7,9-11,18,20-21,24H,6,8,12-15H2,(H2,23,26)/t18?,20?,21-/m1/s1
InChIKeyTVHGCDBYCAMKMF-DQVLVPHSSA-N
MW349.48 g/mol
LogP3.49
Rot. Bonds4

About (2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide

(2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide (PubChem CID 54335655) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide
PubChem CID54335655
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide
SMILESNC(=O)[C@H]1CC(Nc2ccccc2)CCN1C1CCCc2ccccc21
InChIInChI=1S/C22H27N3O/c23-22(26)21-15-18(24-17-9-2-1-3-10-17)13-14-25(21)20-12-6-8-16-7-4-5-11-19(16)20/h1-5,7,9-11,18,20-21,24H,6,8,12-15H2,(H2,23,26)/t18?,20?,21-/m1/s1
InChIKeyTVHGCDBYCAMKMF-DQVLVPHSSA-N
XLogP3.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide?
The IUPAC name of (2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide (CID 54335655) is (2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide is NC(=O)[C@H]1CC(Nc2ccccc2)CCN1C1CCCc2ccccc21.
What is the InChIKey of (2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide?
The InChIKey is TVHGCDBYCAMKMF-DQVLVPHSSA-N. The full InChI is InChI=1S/C22H27N3O/c23-22(26)21-15-18(24-17-9-2-1-3-10-17)13-14-25(21)20-12-6-8-16-7-4-5-11-19(16)20/h1-5,7,9-11,18,20-21,24H,6,8,12-15H2,(H2,23,26)/t18?,20?,21-/m1/s1.
What are the key properties of (2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide?
(2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide is sourced from PubChem (CID 54335655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).