(3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide

C19H20N2O4 — CID 94352979

IUPAC(3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1
InChIInChI=1S/C19H20N2O4/c22-17(20-14-7-8-14)13-5-3-9-21(11-13)18(23)15-10-12-4-1-2-6-16(12)25-19(15)24/h1-2,4,6,10,13-14H,3,5,7-9,11H2,(H,20,22)/t13-/m1/s1
InChIKeyOGIACUYTWZKKEM-CYBMUJFWSA-N
MW340.38 g/mol
LogP1.92
Rot. Bonds3

About (3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide

(3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide (PubChem CID 94352979) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide
PubChem CID94352979
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1
InChIInChI=1S/C19H20N2O4/c22-17(20-14-7-8-14)13-5-3-9-21(11-13)18(23)15-10-12-4-1-2-6-16(12)25-19(15)24/h1-2,4,6,10,13-14H,3,5,7-9,11H2,(H,20,22)/t13-/m1/s1
InChIKeyOGIACUYTWZKKEM-CYBMUJFWSA-N
XLogP1.92
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze (3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide 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-(azepane-1-carbonyl)chromen-2-one
CID 716526
3-[3-(1-aminoethyl)piperidine-1-carbonyl]chromen-2-one;hydrochloride
CID 119594343
3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]chromen-2-one
CID 62372877
tert-butyl N-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]carbamate
CID 51116269
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]chromen-2-one
CID 35610527
3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one
CID 86853717
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696
N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 42780010
3-(2-phenylmorpholine-4-carbonyl)chromen-2-one
CID 16894693
methyl (3S)-1-(1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919420
methyl 4-(2-oxochromene-3-carbonyl)piperazine-1-carboxylate
CID 110803234

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide (CID 94352979) is (3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide is O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1.
What is the InChIKey of (3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is OGIACUYTWZKKEM-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-17(20-14-7-8-14)13-5-3-9-21(11-13)18(23)15-10-12-4-1-2-6-16(12)25-19(15)24/h1-2,4,6,10,13-14H,3,5,7-9,11H2,(H,20,22)/t13-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 94352979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).