(3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide

C25H27N3O2 — CID 94406394

IUPAC(3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C25H27N3O2/c1-27(17-19-13-14-20-8-5-6-9-21(20)16-19)24(29)22-10-7-15-28(18-22)25(30)26-23-11-3-2-4-12-23/h2-6,8-9,11-14,16,22H,7,10,15,17-18H2,1H3,(H,26,30)/t22-/m1/s1
InChIKeyPZZUNRSSBLTDAY-JOCHJYFZSA-N
MW401.51 g/mol
LogP4.74
Rot. Bonds4

About (3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide

(3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 94406394) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is (3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID94406394
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name(3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C25H27N3O2/c1-27(17-19-13-14-20-8-5-6-9-21(20)16-19)24(29)22-10-7-15-28(18-22)25(30)26-23-11-3-2-4-12-23/h2-6,8-9,11-14,16,22H,7,10,15,17-18H2,1H3,(H,26,30)/t22-/m1/s1
InChIKeyPZZUNRSSBLTDAY-JOCHJYFZSA-N
XLogP4.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8962325
3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 17447922
3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55413626
(3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9084986
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55621859
3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51328766
(3R)-3-N-methyl-3-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 136701479
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
3-N-methyl-3-N-[2-(2-methylpropanoylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 75396728
3-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 134044641
methyl 3-[benzyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 55513167
3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120648055

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide (CID 94406394) is (3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide is CN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is PZZUNRSSBLTDAY-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-27(17-19-13-14-20-8-5-6-9-21(20)16-19)24(29)22-10-7-15-28(18-22)25(30)26-23-11-3-2-4-12-23/h2-6,8-9,11-14,16,22H,7,10,15,17-18H2,1H3,(H,26,30)/t22-/m1/s1.
What are the key properties of (3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
(3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 94406394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).