(2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide

C18H28N4O2 — CID 95780048

IUPAC(2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CCCC1)N1CCC[C@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C18H28N4O2/c1-12(17(23)19-15-6-2-3-7-15)22-10-4-5-14(11-22)16-20-18(24-21-16)13-8-9-13/h12-15H,2-11H2,1H3,(H,19,23)/t12-,14-/m0/s1
InChIKeyJPWLRTLHPMEWNT-JSGCOSHPSA-N
MW332.45 g/mol
LogP2.57
Rot. Bonds5

About (2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide

(2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide (PubChem CID 95780048) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide
PubChem CID95780048
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CCCC1)N1CCC[C@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C18H28N4O2/c1-12(17(23)19-15-6-2-3-7-15)22-10-4-5-14(11-22)16-20-18(24-21-16)13-8-9-13/h12-15H,2-11H2,1H3,(H,19,23)/t12-,14-/m0/s1
InChIKeyJPWLRTLHPMEWNT-JSGCOSHPSA-N
XLogP2.57
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 100837496
(2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95780126
(2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 95780548
2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 95780078
N-cyclopropyl-2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]propanamide
CID 71928488
(2S)-N-cyclopropyl-2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]propanamide
CID 100870289
1-[(3R)-3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 129377258
4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile
CID 71928556
(2R)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 124859531
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 71939627
2-[(1R)-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole
CID 100837521
N-cyclopentyl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853758

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide (CID 95780048) is (2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide is C[C@@H](C(=O)NC1CCCC1)N1CCC[C@H](c2noc(C3CC3)n2)C1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide?
The InChIKey is JPWLRTLHPMEWNT-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-12(17(23)19-15-6-2-3-7-15)22-10-4-5-14(11-22)16-20-18(24-21-16)13-8-9-13/h12-15H,2-11H2,1H3,(H,19,23)/t12-,14-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide?
(2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide has a molecular weight of 332.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 95780048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).