cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone

C20H27N3O3 — CID 118776457

IUPACcyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN1C(=O)C1CC1)N1CCC(OCc2ccccn2)CC1
InChIInChI=1S/C20H27N3O3/c24-19(15-6-7-15)23-11-3-5-18(23)20(25)22-12-8-17(9-13-22)26-14-16-4-1-2-10-21-16/h1-2,4,10,15,17-18H,3,5-9,11-14H2/t18-/m0/s1
InChIKeyFAUQEQHRFNQBKM-SFHVURJKSA-N
MW357.45 g/mol
LogP1.99
Rot. Bonds5

About cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone

cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone (PubChem CID 118776457) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
PubChem CID118776457
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Namecyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN1C(=O)C1CC1)N1CCC(OCc2ccccn2)CC1
InChIInChI=1S/C20H27N3O3/c24-19(15-6-7-15)23-11-3-5-18(23)20(25)22-12-8-17(9-13-22)26-14-16-4-1-2-10-21-16/h1-2,4,10,15,17-18H,3,5-9,11-14H2/t18-/m0/s1
InChIKeyFAUQEQHRFNQBKM-SFHVURJKSA-N
XLogP1.99
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 97150223
1-cyclopropyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70714333
1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 72865091
1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70721447
[6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135115714
N-[[(2R)-oxolan-2-yl]methyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 121496359
2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazol-5-yl-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 78081491
methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 97192692
1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 71934842
(5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 99926778
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 118775788
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone (CID 118776457) is cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone is O=C([C@@H]1CCCN1C(=O)C1CC1)N1CCC(OCc2ccccn2)CC1.
What is the InChIKey of cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone?
The InChIKey is FAUQEQHRFNQBKM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-19(15-6-7-15)23-11-3-5-18(23)20(25)22-12-8-17(9-13-22)26-14-16-4-1-2-10-21-16/h1-2,4,10,15,17-18H,3,5-9,11-14H2/t18-/m0/s1.
What are the key properties of cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone?
cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone has a molecular weight of 357.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118776457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).