5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine

C19H35N5O — CID 163139063

IUPAC5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine
SMILESC1CCN(C2CC(C3NOC(C4CCCN4CC4CC4)N3)CCN2)C1
InChIInChI=1S/C19H35N5O/c1-2-10-23(9-1)17-12-15(7-8-20-17)18-21-19(25-22-18)16-4-3-11-24(16)13-14-5-6-14/h14-22H,1-13H2
InChIKeyXFLWIUMUGAJDKP-UHFFFAOYSA-N
MW349.52 g/mol
LogP1.06
Rot. Bonds5

About 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine

5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine (PubChem CID 163139063) has the molecular formula C19H35N5O and a molecular weight of 349.52 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine
PubChem CID163139063
Molecular FormulaC19H35N5O
Molecular Weight349.52 g/mol
Exact Mass349.28
IUPAC Name5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine
SMILESC1CCN(C2CC(C3NOC(C4CCCN4CC4CC4)N3)CCN2)C1
InChIInChI=1S/C19H35N5O/c1-2-10-23(9-1)17-12-15(7-8-20-17)18-21-19(25-22-18)16-4-3-11-24(16)13-14-5-6-14/h14-22H,1-13H2
InChIKeyXFLWIUMUGAJDKP-UHFFFAOYSA-N
XLogP1.06
TPSA51.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
CID 163157810
4-[4-[5-[(2S)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
CID 163177403
1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide
CID 162965112
4-[4-[5-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
CID 163174339
1-[4-[5-[(2S)-1-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide
CID 162812229
4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
CID 163175323
N-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine
CID 163118309
N-(2-methoxyethyl)-4-[5-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine
CID 163126649
4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
CID 163164393
4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
CID 163128663
N,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine
CID 162808676
1-[4-[5-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-ium-2-yl]piperidine-4-carboxamide
CID 163133682

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine?
The IUPAC name of 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine (CID 163139063) is 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine?
The canonical SMILES for 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine is C1CCN(C2CC(C3NOC(C4CCCN4CC4CC4)N3)CCN2)C1.
What is the InChIKey of 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine?
The InChIKey is XFLWIUMUGAJDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O/c1-2-10-23(9-1)17-12-15(7-8-20-17)18-21-19(25-22-18)16-4-3-11-24(16)13-14-5-6-14/h14-22H,1-13H2.
What are the key properties of 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine?
5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine has a molecular weight of 349.52 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine is sourced from PubChem (CID 163139063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).