1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone

C18H25N3O2 — CID 95846939

IUPAC1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](Cc2cncc(C(=O)N3CCCC3)c2)C1
InChIInChI=1S/C18H25N3O2/c1-14(22)21-8-4-5-15(13-21)9-16-10-17(12-19-11-16)18(23)20-6-2-3-7-20/h10-12,15H,2-9,13H2,1H3/t15-/m0/s1
InChIKeyPYNQYWDUVXHEIC-HNNXBMFYSA-N
MW315.42 g/mol
LogP2.12
Rot. Bonds3

About 1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone

1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone (PubChem CID 95846939) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
PubChem CID95846939
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](Cc2cncc(C(=O)N3CCCC3)c2)C1
InChIInChI=1S/C18H25N3O2/c1-14(22)21-8-4-5-15(13-21)9-16-10-17(12-19-11-16)18(23)20-6-2-3-7-20/h10-12,15H,2-9,13H2,1H3/t15-/m0/s1
InChIKeyPYNQYWDUVXHEIC-HNNXBMFYSA-N
XLogP2.12
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide
CID 124964784
1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95825281
1-[(3R)-3-[[5-(propan-2-ylamino)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95846503
1-[4-[(5-bromo-3-pyridinyl)methyl]azepan-1-yl]ethanone
CID 66509839
1-[4-[5-(piperidine-1-carbonyl)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109102845
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488
1-[3-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110257663
[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226329
1-[(3R)-3-[(6-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95804473
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
(5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 63930804
(5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63852069

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone (CID 95846939) is 1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](Cc2cncc(C(=O)N3CCCC3)c2)C1.
What is the InChIKey of 1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is PYNQYWDUVXHEIC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14(22)21-8-4-5-15(13-21)9-16-10-17(12-19-11-16)18(23)20-6-2-3-7-20/h10-12,15H,2-9,13H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 315.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95846939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).