N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-4-carboxamide

C26H29N3O2 — CID 156907157

IUPACN-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCNCC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C26H29N3O2/c1-17-10-11-21(29-25(30)20-12-14-27-15-13-20)16-24(17)26(31)28-18(2)22-9-5-7-19-6-3-4-8-23(19)22/h3-11,16,18,20,27H,12-15H2,1-2H3,(H,28,31)(H,29,30)/t18-/m1/s1
InChIKeyQIXFKLPOAIIFGF-GOSISDBHSA-N
MW415.54 g/mol
LogP4.58
Rot. Bonds5

About N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-4-carboxamide

N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-4-carboxamide (PubChem CID 156907157) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
PubChem CID156907157
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCNCC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C26H29N3O2/c1-17-10-11-21(29-25(30)20-12-14-27-15-13-20)16-24(17)26(31)28-18(2)22-9-5-7-19-6-3-4-8-23(19)22/h3-11,16,18,20,27H,12-15H2,1-2H3,(H,28,31)(H,29,30)/t18-/m1/s1
InChIKeyQIXFKLPOAIIFGF-GOSISDBHSA-N
XLogP4.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-4-carboxamide (CID 156907157) is N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCNCC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-4-carboxamide?
The InChIKey is QIXFKLPOAIIFGF-GOSISDBHSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-17-10-11-21(29-25(30)20-12-14-27-15-13-20)16-24(17)26(31)28-18(2)22-9-5-7-19-6-3-4-8-23(19)22/h3-11,16,18,20,27H,12-15H2,1-2H3,(H,28,31)(H,29,30)/t18-/m1/s1.
What are the key properties of N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-4-carboxamide?
N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-4-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 156907157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).