(2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide

C21H29N3O3 — CID 94653417

IUPAC(2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(c1cccc(NC(=O)N2CCC[C@@H]2C2CCCC2)c1)N1CCOCC1
InChIInChI=1S/C21H29N3O3/c25-20(23-11-13-27-14-12-23)17-7-3-8-18(15-17)22-21(26)24-10-4-9-19(24)16-5-1-2-6-16/h3,7-8,15-16,19H,1-2,4-6,9-14H2,(H,22,26)/t19-/m1/s1
InChIKeyBRKIFNBLZHUCLD-LJQANCHMSA-N
MW371.48 g/mol
LogP3.35
Rot. Bonds3

About (2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide

(2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 94653417) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID94653417
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(c1cccc(NC(=O)N2CCC[C@@H]2C2CCCC2)c1)N1CCOCC1
InChIInChI=1S/C21H29N3O3/c25-20(23-11-13-27-14-12-23)17-7-3-8-18(15-17)22-21(26)24-10-4-9-19(24)16-5-1-2-6-16/h3,7-8,15-16,19H,1-2,4-6,9-14H2,(H,22,26)/t19-/m1/s1
InChIKeyBRKIFNBLZHUCLD-LJQANCHMSA-N
XLogP3.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51082716
(2R)-N-[3-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 94637367
N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55649623
(4aS,7aR)-N-(3-iodophenyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 96529176
N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43628447
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide
CID 119283247
N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283240
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
CID 55773981
2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide
CID 131894338

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide (CID 94653417) is (2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide is O=C(c1cccc(NC(=O)N2CCC[C@@H]2C2CCCC2)c1)N1CCOCC1.
What is the InChIKey of (2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is BRKIFNBLZHUCLD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-20(23-11-13-27-14-12-23)17-7-3-8-18(15-17)22-21(26)24-10-4-9-19(24)16-5-1-2-6-16/h3,7-8,15-16,19H,1-2,4-6,9-14H2,(H,22,26)/t19-/m1/s1.
What are the key properties of (2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide?
(2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94653417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).