6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide

C13H24N4O2 — CID 54944945

IUPAC6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)CN1CCNCC1
InChIInChI=1S/C13H24N4O2/c1-10-2-3-11(13(14)19)8-17(10)12(18)9-16-6-4-15-5-7-16/h10-11,15H,2-9H2,1H3,(H2,14,19)
InChIKeyBITUTOJUYHPVPJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP-1.00
Rot. Bonds3

About 6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide

6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide (PubChem CID 54944945) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide
PubChem CID54944945
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)CN1CCNCC1
InChIInChI=1S/C13H24N4O2/c1-10-2-3-11(13(14)19)8-17(10)12(18)9-16-6-4-15-5-7-16/h10-11,15H,2-9H2,1H3,(H2,14,19)
InChIKeyBITUTOJUYHPVPJ-UHFFFAOYSA-N
XLogP-1.00
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
6-methyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-3-carboxamide
CID 61366636
1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 79201154
(3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 94916502
6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride
CID 119936929
1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide
CID 54875909
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone
CID 29008935
ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate
CID 61067923
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide
CID 115459404
(3R,6S)-1-[2-(4-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 94200570
6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide
CID 47417132
(3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94200571

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of 6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide (CID 54944945) is 6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)CN1CCNCC1.
What is the InChIKey of 6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide?
The InChIKey is BITUTOJUYHPVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10-2-3-11(13(14)19)8-17(10)12(18)9-16-6-4-15-5-7-16/h10-11,15H,2-9H2,1H3,(H2,14,19).
What are the key properties of 6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide?
6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 54944945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).