N-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide

C22H30N2O2 — CID 133126083

IUPACN-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide
SMILESO=C(N[C@@H]1CN(C2Cc3ccccc3C2)C[C@H]1C1CC1)C1CCOCC1
InChIInChI=1S/C22H30N2O2/c25-22(16-7-9-26-10-8-16)23-21-14-24(13-20(21)15-5-6-15)19-11-17-3-1-2-4-18(17)12-19/h1-4,15-16,19-21H,5-14H2,(H,23,25)/t20-,21+/m0/s1
InChIKeyOCVKAHWTGZKUPS-LEWJYISDSA-N
MW354.49 g/mol
LogP2.41
Rot. Bonds4

About N-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide

N-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 133126083) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID133126083
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide
SMILESO=C(N[C@@H]1CN(C2Cc3ccccc3C2)C[C@H]1C1CC1)C1CCOCC1
InChIInChI=1S/C22H30N2O2/c25-22(16-7-9-26-10-8-16)23-21-14-24(13-20(21)15-5-6-15)19-11-17-3-1-2-4-18(17)12-19/h1-4,15-16,19-21H,5-14H2,(H,23,25)/t20-,21+/m0/s1
InChIKeyOCVKAHWTGZKUPS-LEWJYISDSA-N
XLogP2.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 97151159
N-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 156605379
N-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide
CID 72889509
N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride
CID 154897858
6-[(3S,4R)-3-cyclopropyl-4-(oxane-4-carbonylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 72839154
6-[(3R,4S)-3-cyclopropyl-4-(oxane-4-carbonylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 133133387
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
CID 103816843
N-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide
CID 133129754
N-(2-amino-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide
CID 63755990
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]oxane-4-carboxamide
CID 124829531
N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide
CID 95964708
5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 156837949

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide (CID 133126083) is N-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide is O=C(N[C@@H]1CN(C2Cc3ccccc3C2)C[C@H]1C1CC1)C1CCOCC1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is OCVKAHWTGZKUPS-LEWJYISDSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-22(16-7-9-26-10-8-16)23-21-14-24(13-20(21)15-5-6-15)19-11-17-3-1-2-4-18(17)12-19/h1-4,15-16,19-21H,5-14H2,(H,23,25)/t20-,21+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide?
N-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 354.49 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 133126083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).