N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide

C16H25N3O — CID 108988562

IUPACN,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(CC)c2cccc(C)c2)CC1
InChIInChI=1S/C16H25N3O/c1-4-17-9-11-18(12-10-17)16(20)19(5-2)15-8-6-7-14(3)13-15/h6-8,13H,4-5,9-12H2,1-3H3
InChIKeyZNILZXHNVOBXTI-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.58
Rot. Bonds3

About N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide

N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 108988562) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID108988562
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(CC)c2cccc(C)c2)CC1
InChIInChI=1S/C16H25N3O/c1-4-17-9-11-18(12-10-17)16(20)19(5-2)15-8-6-7-14(3)13-15/h6-8,13H,4-5,9-12H2,1-3H3
InChIKeyZNILZXHNVOBXTI-UHFFFAOYSA-N
XLogP2.58
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
CID 108944667
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109084517
N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507557
2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide
CID 108520654
3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108961312
[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208548
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
(2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 28510403
N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044713
N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972125
N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide
CID 108507347

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide (CID 108988562) is N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide is CCN1CCN(C(=O)N(CC)c2cccc(C)c2)CC1.
What is the InChIKey of N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is ZNILZXHNVOBXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-17-9-11-18(12-10-17)16(20)19(5-2)15-8-6-7-14(3)13-15/h6-8,13H,4-5,9-12H2,1-3H3.
What are the key properties of N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide?
N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108988562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).