(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide

C15H21N3O3 — CID 172675108

IUPAC(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCOCc1ccccc1NC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C15H21N3O3/c1-21-10-12-5-2-3-7-13(12)17-15(20)18-8-4-6-11(9-18)14(16)19/h2-3,5,7,11H,4,6,8-10H2,1H3,(H2,16,19)(H,17,20)/t11-/m0/s1
InChIKeyGUBBGFXTNMOAAR-NSHDSACASA-N
MW291.35 g/mol
LogP1.56
Rot. Bonds4

About (3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide

(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 172675108) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
PubChem CID172675108
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCOCc1ccccc1NC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C15H21N3O3/c1-21-10-12-5-2-3-7-13(12)17-15(20)18-8-4-6-11(9-18)14(16)19/h2-3,5,7,11H,4,6,8-10H2,1H3,(H2,16,19)(H,17,20)/t11-/m0/s1
InChIKeyGUBBGFXTNMOAAR-NSHDSACASA-N
XLogP1.56
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 94081574
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide
CID 172908594
methyl 2-[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl]benzoate
CID 97254802
(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
CID 172675194
(3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 96541051
(3S)-1-[(2-methylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628888
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
CID 119053091

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide (CID 172675108) is (3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide is COCc1ccccc1NC(=O)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is GUBBGFXTNMOAAR-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-10-12-5-2-3-7-13(12)17-15(20)18-8-4-6-11(9-18)14(16)19/h2-3,5,7,11H,4,6,8-10H2,1H3,(H2,16,19)(H,17,20)/t11-/m0/s1.
What are the key properties of (3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide?
(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 172675108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).