N,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide

C14H28N4O — CID 115177847

IUPACN,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide
SMILESCN1CCCC(CN(C)C(=O)C2CNCCN2C)C1
InChIInChI=1S/C14H28N4O/c1-16-7-4-5-12(10-16)11-18(3)14(19)13-9-15-6-8-17(13)2/h12-13,15H,4-11H2,1-3H3
InChIKeyULIZGRWUBITGMK-UHFFFAOYSA-N
MW268.40 g/mol
LogP-0.31
Rot. Bonds3

About N,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide

N,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide (PubChem CID 115177847) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide
PubChem CID115177847
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide
SMILESCN1CCCC(CN(C)C(=O)C2CNCCN2C)C1
InChIInChI=1S/C14H28N4O/c1-16-7-4-5-12(10-16)11-18(3)14(19)13-9-15-6-8-17(13)2/h12-13,15H,4-11H2,1-3H3
InChIKeyULIZGRWUBITGMK-UHFFFAOYSA-N
XLogP-0.31
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexylethyl)-N,1-dimethylpiperazine-2-carboxamide
CID 115177890
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119855559
N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide
CID 115177823
1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115168460
1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide
CID 115177737
N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-(2-oxopiperazin-1-yl)acetamide
CID 124685267
N-methoxy-N,1-dimethylpiperazine-2-carboxamide
CID 58137843
N-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-pyrrolidin-3-ylacetamide
CID 115160418
2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 170730006
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119855579
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine
CID 115118418
ethane;1-(1-methylpiperazin-2-yl)ethanone
CID 142036342

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide (CID 115177847) is N,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide is CN1CCCC(CN(C)C(=O)C2CNCCN2C)C1.
What is the InChIKey of N,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide?
The InChIKey is ULIZGRWUBITGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-16-7-4-5-12(10-16)11-18(3)14(19)13-9-15-6-8-17(13)2/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide?
N,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide has a molecular weight of 268.40 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 115177847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).