1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone

C17H23N3O2 — CID 110090089

IUPAC1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2ccc(C(=O)N3CCCC3)cn2)C1
InChIInChI=1S/C17H23N3O2/c1-13(21)20-10-4-5-15(12-20)16-7-6-14(11-18-16)17(22)19-8-2-3-9-19/h6-7,11,15H,2-5,8-10,12H2,1H3
InChIKeyPHJJJORBURAJEY-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.04
Rot. Bonds2

About 1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone

1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110090089) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID110090089
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2ccc(C(=O)N3CCCC3)cn2)C1
InChIInChI=1S/C17H23N3O2/c1-13(21)20-10-4-5-15(12-20)16-7-6-14(11-18-16)17(22)19-8-2-3-9-19/h6-7,11,15H,2-5,8-10,12H2,1H3
InChIKeyPHJJJORBURAJEY-UHFFFAOYSA-N
XLogP2.04
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 171687261
2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92621989
[6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 92621580
1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95825184
1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95846969
1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95825074
3-[6-(1-acetylpiperidin-3-yl)-3-pyridinyl]benzoic acid
CID 110112133
2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110264227
6-[(3S)-1-acetylpiperidin-3-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 95825978
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 110264319
1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124959024
N,N-dimethyl-6-[(3S)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide
CID 95834324

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone (CID 110090089) is 1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2ccc(C(=O)N3CCCC3)cn2)C1.
What is the InChIKey of 1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is PHJJJORBURAJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(21)20-10-4-5-15(12-20)16-7-6-14(11-18-16)17(22)19-8-2-3-9-19/h6-7,11,15H,2-5,8-10,12H2,1H3.
What are the key properties of 1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone?
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 301.39 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110090089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).