N,N,3-trimethylpiperazine-1-carboxamide

C8H17N3O — CID 14090595

IUPACN,N,3-trimethylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)N(C)C)CCN1
InChIInChI=1S/C8H17N3O/c1-7-6-11(5-4-9-7)8(12)10(2)3/h7,9H,4-6H2,1-3H3
InChIKeyAYOUISFJHNPBPO-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.04
Rot. Bonds

About N,N,3-trimethylpiperazine-1-carboxamide

N,N,3-trimethylpiperazine-1-carboxamide (PubChem CID 14090595) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N,N,3-trimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN,N,3-trimethylpiperazine-1-carboxamide
PubChem CID14090595
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN,N,3-trimethylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)N(C)C)CCN1
InChIInChI=1S/C8H17N3O/c1-7-6-11(5-4-9-7)8(12)10(2)3/h7,9H,4-6H2,1-3H3
InChIKeyAYOUISFJHNPBPO-UHFFFAOYSA-N
XLogP-0.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
N,N-dimethyl-3-(2-methylpropyl)piperazine-1-carboxamide
CID 82241726
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580841
[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 104976372
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624
1-(3-methylpiperazin-1-yl)but-2-yn-1-one
CID 107990484
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427984
cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974832
[(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 166607150
hydroxymethyl 3-methylpiperazine-1-carboxylate
CID 118679153

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethylpiperazine-1-carboxamide?
The IUPAC name of N,N,3-trimethylpiperazine-1-carboxamide (CID 14090595) is N,N,3-trimethylpiperazine-1-carboxamide.
What is the SMILES notation for N,N,3-trimethylpiperazine-1-carboxamide?
The canonical SMILES for N,N,3-trimethylpiperazine-1-carboxamide is CC1CN(C(=O)N(C)C)CCN1.
What is the InChIKey of N,N,3-trimethylpiperazine-1-carboxamide?
The InChIKey is AYOUISFJHNPBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7-6-11(5-4-9-7)8(12)10(2)3/h7,9H,4-6H2,1-3H3.
What are the key properties of N,N,3-trimethylpiperazine-1-carboxamide?
N,N,3-trimethylpiperazine-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethylpiperazine-1-carboxamide is sourced from PubChem (CID 14090595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).