[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone

C19H25N3O2 — CID 97078426

IUPAC[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1C(=O)c1cccnc1)N1C[C@H]2CCC[C@H]2C1
InChIInChI=1S/C19H25N3O2/c23-18(14-7-4-9-20-11-14)22-10-2-1-8-17(22)19(24)21-12-15-5-3-6-16(15)13-21/h4,7,9,11,15-17H,1-3,5-6,8,10,12-13H2/t15-,16+,17-/m1/s1
InChIKeyCJKWMFJZUMXDKO-IXDOHACOSA-N
MW327.43 g/mol
LogP2.33
Rot. Bonds2

About [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone

[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone (PubChem CID 97078426) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
PubChem CID97078426
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1C(=O)c1cccnc1)N1C[C@H]2CCC[C@H]2C1
InChIInChI=1S/C19H25N3O2/c23-18(14-7-4-9-20-11-14)22-10-2-1-8-17(22)19(24)21-12-15-5-3-6-16(15)13-21/h4,7,9,11,15-17H,1-3,5-6,8,10,12-13H2/t15-,16+,17-/m1/s1
InChIKeyCJKWMFJZUMXDKO-IXDOHACOSA-N
XLogP2.33
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 119032862
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
1-[(4aR,9aR)-1-(pyridine-3-carbonyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]ethanone
CID 110145133
(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 126806798
N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 166214456
tert-butyl (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 10564407
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
N-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 167991863
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone?
The IUPAC name of [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone (CID 97078426) is [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone.
What is the SMILES notation for [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone?
The canonical SMILES for [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone is O=C([C@H]1CCCCN1C(=O)c1cccnc1)N1C[C@H]2CCC[C@H]2C1.
What is the InChIKey of [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone?
The InChIKey is CJKWMFJZUMXDKO-IXDOHACOSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18(14-7-4-9-20-11-14)22-10-2-1-8-17(22)19(24)21-12-15-5-3-6-16(15)13-21/h4,7,9,11,15-17H,1-3,5-6,8,10,12-13H2/t15-,16+,17-/m1/s1.
What are the key properties of [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone?
[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone is sourced from PubChem (CID 97078426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).