N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide

C20H32N2O3 — CID 133265550

IUPACN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESO=C(CCCN1CCCCC1=O)N[C@H]1[C@H]2CCO[C@H]2[C@H]1C1CCCC1
InChIInChI=1S/C20H32N2O3/c23-16(8-5-12-22-11-4-3-9-17(22)24)21-19-15-10-13-25-20(15)18(19)14-6-1-2-7-14/h14-15,18-20H,1-13H2,(H,21,23)/t15-,18+,19+,20-/m1/s1
InChIKeyUNLYEPAKKMAQND-XFWGSAIBSA-N
MW348.49 g/mol
LogP2.49
Rot. Bonds6

About N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide

N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide (PubChem CID 133265550) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide
PubChem CID133265550
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESO=C(CCCN1CCCCC1=O)N[C@H]1[C@H]2CCO[C@H]2[C@H]1C1CCCC1
InChIInChI=1S/C20H32N2O3/c23-16(8-5-12-22-11-4-3-9-17(22)24)21-19-15-10-13-25-20(15)18(19)14-6-1-2-7-14/h14-15,18-20H,1-13H2,(H,21,23)/t15-,18+,19+,20-/m1/s1
InChIKeyUNLYEPAKKMAQND-XFWGSAIBSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide with MolForge

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Related Compounds

N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide
CID 91762621
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(2-ethylimidazol-1-yl)propanamide
CID 91770237
N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide
CID 133267354
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 133260460
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 133265898
4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842029
4-(2-oxoazepan-1-yl)butanamide
CID 90945049
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91797452
1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one
CID 10977596
N-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 125448347
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide?
The IUPAC name of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide (CID 133265550) is N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide.
What is the SMILES notation for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide?
The canonical SMILES for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide is O=C(CCCN1CCCCC1=O)N[C@H]1[C@H]2CCO[C@H]2[C@H]1C1CCCC1.
What is the InChIKey of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide?
The InChIKey is UNLYEPAKKMAQND-XFWGSAIBSA-N. The full InChI is InChI=1S/C20H32N2O3/c23-16(8-5-12-22-11-4-3-9-17(22)24)21-19-15-10-13-25-20(15)18(19)14-6-1-2-7-14/h14-15,18-20H,1-13H2,(H,21,23)/t15-,18+,19+,20-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide?
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide has a molecular weight of 348.49 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide is sourced from PubChem (CID 133265550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).