1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone

C21H30N4O2 — CID 164633722

IUPAC1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cccnc2)CC1
InChIInChI=1S/C21H30N4O2/c1-16-5-2-3-8-25(16)20(26)15-23-9-11-24(12-10-23)21(27)19-13-18(19)17-6-4-7-22-14-17/h4,6-7,14,16,18-19H,2-3,5,8-13,15H2,1H3/t16?,18-,19+/m1/s1
InChIKeyDFQZFBVUPUJETN-VITQDTLGSA-N
MW370.50 g/mol
LogP1.73
Rot. Bonds4

About 1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone

1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone (PubChem CID 164633722) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
PubChem CID164633722
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cccnc2)CC1
InChIInChI=1S/C21H30N4O2/c1-16-5-2-3-8-25(16)20(26)15-23-9-11-24(12-10-23)21(27)19-13-18(19)17-6-4-7-22-14-17/h4,6-7,14,16,18-19H,2-3,5,8-13,15H2,1H3/t16?,18-,19+/m1/s1
InChIKeyDFQZFBVUPUJETN-VITQDTLGSA-N
XLogP1.73
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

N-prop-2-ynyl-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]-1,4-diazepan-1-yl]acetamide
CID 96534401
[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 124824565
1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 55563635
2-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 94824147
2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 133351714
1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 97205497
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 95290618
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 129448702
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 97012499
1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone
CID 95204864
1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
CID 646582
[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 95349545

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone (CID 164633722) is 1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone is CC1CCCCN1C(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cccnc2)CC1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The InChIKey is DFQZFBVUPUJETN-VITQDTLGSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16-5-2-3-8-25(16)20(26)15-23-9-11-24(12-10-23)21(27)19-13-18(19)17-6-4-7-22-14-17/h4,6-7,14,16,18-19H,2-3,5,8-13,15H2,1H3/t16?,18-,19+/m1/s1.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone has a molecular weight of 370.50 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 164633722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).