ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide

C15H32N4O — CID 144702610

IUPACethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
SMILESCC.CN1CCC(CNC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N4O.C2H6/c1-15-5-3-12(4-6-15)11-14-13(18)17-9-7-16(2)8-10-17;1-2/h12H,3-11H2,1-2H3,(H,14,18);1-2H3
InChIKeyMTADVJDJQDWZMY-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.31
Rot. Bonds2

About ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide

ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 144702610) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Nameethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
PubChem CID144702610
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Nameethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
SMILESCC.CN1CCC(CNC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N4O.C2H6/c1-15-5-3-12(4-6-15)11-14-13(18)17-9-7-16(2)8-10-17;1-2/h12H,3-11H2,1-2H3,(H,14,18);1-2H3
InChIKeyMTADVJDJQDWZMY-UHFFFAOYSA-N
XLogP1.31
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide
CID 65419153
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate
CID 108902696
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 115590481
2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608907
2-methyl-1-[(1-methylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383205
2-[4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62823597
propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate
CID 116655183
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 65465788
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 116654402

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide (CID 144702610) is ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide is CC.CN1CCC(CNC(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide?
The InChIKey is MTADVJDJQDWZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O.C2H6/c1-15-5-3-12(4-6-15)11-14-13(18)17-9-7-16(2)8-10-17;1-2/h12H,3-11H2,1-2H3,(H,14,18);1-2H3.
What are the key properties of ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide?
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 284.45 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 144702610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).