(2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide

C20H27N3O3 — CID 167180253

IUPAC(2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCOc2ccccc21)[C@H]1CCCN1C(=O)[C@H]1CCCNC1
InChIInChI=1S/C20H27N3O3/c24-19(22-16-9-12-26-18-8-2-1-6-15(16)18)17-7-4-11-23(17)20(25)14-5-3-10-21-13-14/h1-2,6,8,14,16-17,21H,3-5,7,9-13H2,(H,22,24)/t14-,16?,17+/m0/s1
InChIKeyWSKUYXYCFZNDED-DRXWIORDSA-N
MW357.45 g/mol
LogP1.62
Rot. Bonds3

About (2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide

(2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 167180253) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide
PubChem CID167180253
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCOc2ccccc21)[C@H]1CCCN1C(=O)[C@H]1CCCNC1
InChIInChI=1S/C20H27N3O3/c24-19(22-16-9-12-26-18-8-2-1-6-15(16)18)17-7-4-11-23(17)20(25)14-5-3-10-21-13-14/h1-2,6,8,14,16-17,21H,3-5,7,9-13H2,(H,22,24)/t14-,16?,17+/m0/s1
InChIKeyWSKUYXYCFZNDED-DRXWIORDSA-N
XLogP1.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone
CID 116548013
(5S,8S,10aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(methylamino)-6-oxo-2,3,4,5,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a][1,5]diazocine-8-carboxamide
CID 171790150
(2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119685148
N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide
CID 110471677
methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate
CID 63184336
(2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid
CID 81134943
(2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124703387
N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404128
(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 99777080
(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 81123604
N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 43652010
[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119333493

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide (CID 167180253) is (2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide is O=C(NC1CCOc2ccccc21)[C@H]1CCCN1C(=O)[C@H]1CCCNC1.
What is the InChIKey of (2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is WSKUYXYCFZNDED-DRXWIORDSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-19(22-16-9-12-26-18-8-2-1-6-15(16)18)17-7-4-11-23(17)20(25)14-5-3-10-21-13-14/h1-2,6,8,14,16-17,21H,3-5,7,9-13H2,(H,22,24)/t14-,16?,17+/m0/s1.
What are the key properties of (2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide?
(2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dihydro-2H-chromen-4-yl)-1-[(3S)-piperidine-3-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 167180253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).