N-[2-(4-chlorophenyl)ethyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide

C26H29ClN2O — CID 90670170

IUPACN-[2-(4-chlorophenyl)ethyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
SMILESC[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H29ClN2O/c1-19(24-8-4-6-21-5-2-3-7-25(21)24)29-17-14-22(15-18-29)26(30)28-16-13-20-9-11-23(27)12-10-20/h2-12,19,22H,13-18H2,1H3,(H,28,30)/t19-/m1/s1
InChIKeyUZZQOPDUOCMCGD-LJQANCHMSA-N
MW420.98 g/mol
LogP5.63
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide (PubChem CID 90670170) has the molecular formula C26H29ClN2O and a molecular weight of 420.98 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
PubChem CID90670170
Molecular FormulaC26H29ClN2O
Molecular Weight420.98 g/mol
Exact Mass420.20
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
SMILESC[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H29ClN2O/c1-19(24-8-4-6-21-5-2-3-7-25(21)24)29-17-14-22(15-18-29)26(30)28-16-13-20-9-11-23(27)12-10-20/h2-12,19,22H,13-18H2,1H3,(H,28,30)/t19-/m1/s1
InChIKeyUZZQOPDUOCMCGD-LJQANCHMSA-N
XLogP5.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.98
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide (CID 90670170) is N-[2-(4-chlorophenyl)ethyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide is C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide?
The InChIKey is UZZQOPDUOCMCGD-LJQANCHMSA-N. The full InChI is InChI=1S/C26H29ClN2O/c1-19(24-8-4-6-21-5-2-3-7-25(21)24)29-17-14-22(15-18-29)26(30)28-16-13-20-9-11-23(27)12-10-20/h2-12,19,22H,13-18H2,1H3,(H,28,30)/t19-/m1/s1.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide has a molecular weight of 420.98 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 90670170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).