(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide

C14H19N3O3 — CID 7372009

IUPAC(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C14H19N3O3/c1-20-12-7-3-2-6-11(12)16-14(19)17-8-4-5-10(9-17)13(15)18/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,15,18)(H,16,19)/t10-/m0/s1
InChIKeyIQHVDKFVLUCUBM-JTQLQIEISA-N
MW277.32 g/mol
LogP1.42
Rot. Bonds3

About (3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide

(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide (PubChem CID 7372009) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
PubChem CID7372009
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C14H19N3O3/c1-20-12-7-3-2-6-11(12)16-14(19)17-8-4-5-10(9-17)13(15)18/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,15,18)(H,16,19)/t10-/m0/s1
InChIKeyIQHVDKFVLUCUBM-JTQLQIEISA-N
XLogP1.42
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
CID 119053091
(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
CID 172675108
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689
(3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 51687287
(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94857559
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide
CID 172908594
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
CID 126459311
3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 71849001
N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide (CID 7372009) is (3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide is COc1ccccc1NC(=O)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is IQHVDKFVLUCUBM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-12-7-3-2-6-11(12)16-14(19)17-8-4-5-10(9-17)13(15)18/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,15,18)(H,16,19)/t10-/m0/s1.
What are the key properties of (3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide?
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 7372009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).