N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide

C15H25N3O2 — CID 102893655

IUPACN-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)C2NCC3CCCC32)CC1
InChIInChI=1S/C15H25N3O2/c1-10(19)17-12-5-7-18(8-6-12)15(20)14-13-4-2-3-11(13)9-16-14/h11-14,16H,2-9H2,1H3,(H,17,19)
InChIKeyNYMQBTLUBPQQFY-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.50
Rot. Bonds2

About N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide

N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 102893655) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID102893655
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)C2NCC3CCCC32)CC1
InChIInChI=1S/C15H25N3O2/c1-10(19)17-12-5-7-18(8-6-12)15(20)14-13-4-2-3-11(13)9-16-14/h11-14,16H,2-9H2,1H3,(H,17,19)
InChIKeyNYMQBTLUBPQQFY-UHFFFAOYSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-cyclopropylpiperazin-1-yl)methanone
CID 102891939
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]acetamide
CID 49348874
2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide
CID 102891595
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 102893620
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220421
methyl (3R,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate
CID 97358975
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313762
N-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]acetamide
CID 103810108
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 102893046
N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892838
(3R,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid
CID 13232017

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide (CID 102893655) is N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)C2NCC3CCCC32)CC1.
What is the InChIKey of N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is NYMQBTLUBPQQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(19)17-12-5-7-18(8-6-12)15(20)14-13-4-2-3-11(13)9-16-14/h11-14,16H,2-9H2,1H3,(H,17,19).
What are the key properties of N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide?
N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 279.38 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 102893655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).