[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone

C14H18N2O2 — CID 129452854

IUPAC[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CC[C@H](OCC2CC2)C1
InChIInChI=1S/C14H18N2O2/c17-14(12-3-6-15-7-4-12)16-8-5-13(9-16)18-10-11-1-2-11/h3-4,6-7,11,13H,1-2,5,8-10H2/t13-/m0/s1
InChIKeyGWAWGAHRHMBKQQ-ZDUSSCGKSA-N
MW246.31 g/mol
LogP1.72
Rot. Bonds4

About [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone

[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 129452854) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID129452854
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CC[C@H](OCC2CC2)C1
InChIInChI=1S/C14H18N2O2/c17-14(12-3-6-15-7-4-12)16-8-5-13(9-16)18-10-11-1-2-11/h3-4,6-7,11,13H,1-2,5,8-10H2/t13-/m0/s1
InChIKeyGWAWGAHRHMBKQQ-ZDUSSCGKSA-N
XLogP1.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 129357837
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 121197527
4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 121197435
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 119105495
[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 129358042
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129492855
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 121197545
1,3-benzodioxol-5-yl-[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]methanone
CID 129357465
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2,6-difluorophenyl)methanone
CID 121197502
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121022719
2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122056346
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 121197580

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 129452854) is [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CC[C@H](OCC2CC2)C1.
What is the InChIKey of [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is GWAWGAHRHMBKQQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(12-3-6-15-7-4-12)16-8-5-13(9-16)18-10-11-1-2-11/h3-4,6-7,11,13H,1-2,5,8-10H2/t13-/m0/s1.
What are the key properties of [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 246.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 129452854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).