N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C16H29N3O — CID 102890692

IUPACN-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCCN1CCC(N(C)C(=O)C2NCC3CCCC32)CC1
InChIInChI=1S/C16H29N3O/c1-3-19-9-7-13(8-10-19)18(2)16(20)15-14-6-4-5-12(14)11-17-15/h12-15,17H,3-11H2,1-2H3
InChIKeyJBGMIEOTVAIJLW-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.32
Rot. Bonds3

About N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102890692) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102890692
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCCN1CCC(N(C)C(=O)C2NCC3CCCC32)CC1
InChIInChI=1S/C16H29N3O/c1-3-19-9-7-13(8-10-19)18(2)16(20)15-14-6-4-5-12(14)11-17-15/h12-15,17H,3-11H2,1-2H3
InChIKeyJBGMIEOTVAIJLW-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892716
N-(1-ethylpiperidin-4-yl)-N,3-dimethylpiperidine-2-carboxamide
CID 62339982
N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890568
N-cyclohexyl-N-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890287
N-ethyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890558
(2S,3aS,7aR)-N-(1-ethylpiperidin-4-yl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 124709163
N-(1-ethylpiperidin-4-yl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 55229194
N-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891722
2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid
CID 102892216
2-amino-N-(1-ethylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 64822922
N-(2-methoxyethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892028
3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid
CID 102892187

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102890692) is N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is CCN1CCC(N(C)C(=O)C2NCC3CCCC32)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is JBGMIEOTVAIJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-19-9-7-13(8-10-19)18(2)16(20)15-14-6-4-5-12(14)11-17-15/h12-15,17H,3-11H2,1-2H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 279.43 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102890692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).