[(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone

C12H23N3O — CID 104976373

IUPAC[(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CCN[C@@H](C)C2)C1
InChIInChI=1S/C12H23N3O/c1-10-4-3-6-14(8-10)12(16)15-7-5-13-11(2)9-15/h10-11,13H,3-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyDHCCQOJLNVVZJM-DTIOYNMSSA-N
MW225.34 g/mol
LogP1.13
Rot. Bonds

About [(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone

[(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 104976373) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is [(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID104976373
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name[(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CCN[C@@H](C)C2)C1
InChIInChI=1S/C12H23N3O/c1-10-4-3-6-14(8-10)12(16)15-7-5-13-11(2)9-15/h10-11,13H,3-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyDHCCQOJLNVVZJM-DTIOYNMSSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 104976372
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685
[(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 166607150
cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427984
azetidin-2-yl-(3-methylpiperidin-1-yl)methanone
CID 127007558
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 119577018
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 104967123
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone (CID 104976373) is [(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)N2CCN[C@@H](C)C2)C1.
What is the InChIKey of [(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is DHCCQOJLNVVZJM-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10-4-3-6-14(8-10)12(16)15-7-5-13-11(2)9-15/h10-11,13H,3-9H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of [(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone?
[(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 225.34 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 104976373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).