1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide

C12H24N4O — CID 115177737

IUPAC1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide
SMILESCN1CCCC(NC(=O)C2CNCCN2C)C1
InChIInChI=1S/C12H24N4O/c1-15-6-3-4-10(9-15)14-12(17)11-8-13-5-7-16(11)2/h10-11,13H,3-9H2,1-2H3,(H,14,17)
InChIKeyPLTBHCQRAHSRHR-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.90
Rot. Bonds2

About 1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide

1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide (PubChem CID 115177737) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide
PubChem CID115177737
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide
SMILESCN1CCCC(NC(=O)C2CNCCN2C)C1
InChIInChI=1S/C12H24N4O/c1-15-6-3-4-10(9-15)14-12(17)11-8-13-5-7-16(11)2/h10-11,13H,3-9H2,1-2H3,(H,14,17)
InChIKeyPLTBHCQRAHSRHR-UHFFFAOYSA-N
XLogP-0.90
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclobutyl-1-methylpiperazine-2-carboxamide
CID 89103840
1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea
CID 117234729
2-methyl-N-(1-methylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 79389112
N-(1-methylpiperidin-3-yl)-2-piperazin-1-ylacetamide
CID 61212006
N,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide
CID 115177847
1-(1-methylpiperidin-3-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234767
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
4-hydroxy-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 61212180
4-hydroxy-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 115150764
1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea
CID 117234763
N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide
CID 81043754

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide?
The IUPAC name of 1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide (CID 115177737) is 1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide?
The canonical SMILES for 1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide is CN1CCCC(NC(=O)C2CNCCN2C)C1.
What is the InChIKey of 1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide?
The InChIKey is PLTBHCQRAHSRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-15-6-3-4-10(9-15)14-12(17)11-8-13-5-7-16(11)2/h10-11,13H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide?
1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide is sourced from PubChem (CID 115177737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).