(3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C20H33N5O2 — CID 154785236

IUPAC(3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCN1CCC(N)(C(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)C1
InChIInChI=1S/C20H33N5O2/c1-24-12-9-20(21,14-24)19(26)25-10-7-15(8-11-25)13-17-22-18(23-27-17)16-5-3-2-4-6-16/h15-16H,2-14,21H2,1H3
InChIKeyWHFBKJNHEVLYRA-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.93
Rot. Bonds4

About (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

(3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 154785236) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID154785236
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name(3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCN1CCC(N)(C(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)C1
InChIInChI=1S/C20H33N5O2/c1-24-12-9-20(21,14-24)19(26)25-10-7-15(8-11-25)13-17-22-18(23-27-17)16-5-3-2-4-6-16/h15-16H,2-14,21H2,1H3
InChIKeyWHFBKJNHEVLYRA-UHFFFAOYSA-N
XLogP1.93
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide
CID 25338675
1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 45216885
2-(4-{[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]carbonyl}-1-piperidinyl)acetamide
CID 70709545
1-tert-butyl-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-3-pyrrolidinecarboxamide
CID 70769221
N-Cyclohexyl-4-oxo-8-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-1,5-diazacycloundecane-1-carboxamide
CID 110200371
N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide
CID 28960901
5-Cyclohexanecarbonyl-9-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-1,5-diazacycloundecan-2-one
CID 110200342
N-tert-butyl-4-oxo-8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecane-1-carboxamide
CID 110200370
2-Cyclohexyl-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-YL)-2,8-diazaspiro[4.5]decan-8-YL]ethan-1-one
CID 124075266
1-[(3S)-3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 129377257
4-(Cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one
CID 138057468
1-[(2S)-2-amino-4-[(2S)-2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one
CID 69189287

Frequently Asked Questions

What is the IUPAC name of (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 154785236) is (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is CN1CCC(N)(C(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)C1.
What is the InChIKey of (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is WHFBKJNHEVLYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-24-12-9-20(21,14-24)19(26)25-10-7-15(8-11-25)13-17-22-18(23-27-17)16-5-3-2-4-6-16/h15-16H,2-14,21H2,1H3.
What are the key properties of (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
(3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 375.52 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 154785236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).