(3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide

C14H21N3O3 — CID 94393772

IUPAC(3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1ccc(CN(C)C(=O)[C@H]2CCCN(C(N)=O)C2)o1
InChIInChI=1S/C14H21N3O3/c1-10-5-6-12(20-10)9-16(2)13(18)11-4-3-7-17(8-11)14(15)19/h5-6,11H,3-4,7-9H2,1-2H3,(H2,15,19)/t11-/m0/s1
InChIKeyWYLZPGCKMXWFRJ-NSHDSACASA-N
MW279.34 g/mol
LogP1.34
Rot. Bonds3

About (3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide

(3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 94393772) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide
PubChem CID94393772
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1ccc(CN(C)C(=O)[C@H]2CCCN(C(N)=O)C2)o1
InChIInChI=1S/C14H21N3O3/c1-10-5-6-12(20-10)9-16(2)13(18)11-4-3-7-17(8-11)14(15)19/h5-6,11H,3-4,7-9H2,1-2H3,(H2,15,19)/t11-/m0/s1
InChIKeyWYLZPGCKMXWFRJ-NSHDSACASA-N
XLogP1.34
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-methyl-3-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-1,3-dicarboxamide
CID 51074422
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide
CID 63043755
3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide
CID 70730280
(3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96579526
(3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 31793508
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119958218
(3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide
CID 95230266
(2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944233
1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 119167644
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 90650561
1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197519
N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119956917

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide (CID 94393772) is (3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide is Cc1ccc(CN(C)C(=O)[C@H]2CCCN(C(N)=O)C2)o1.
What is the InChIKey of (3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is WYLZPGCKMXWFRJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-5-6-12(20-10)9-16(2)13(18)11-4-3-7-17(8-11)14(15)19/h5-6,11H,3-4,7-9H2,1-2H3,(H2,15,19)/t11-/m0/s1.
What are the key properties of (3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 94393772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).