N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide

C17H24Cl2N4O2 — CID 17486743

IUPACN-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide
SMILESCC(C)CNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H24Cl2N4O2/c1-12(2)10-20-16(24)11-22-5-7-23(8-6-22)17(25)21-13-3-4-14(18)15(19)9-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyDVQJTRSROFHELU-UHFFFAOYSA-N
MW387.31 g/mol
LogP2.92
Rot. Bonds5

About N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide

N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 17486743) has the molecular formula C17H24Cl2N4O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide
PubChem CID17486743
Molecular FormulaC17H24Cl2N4O2
Molecular Weight387.31 g/mol
Exact Mass386.13
IUPAC NameN-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide
SMILESCC(C)CNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H24Cl2N4O2/c1-12(2)10-20-16(24)11-22-5-7-23(8-6-22)17(25)21-13-3-4-14(18)15(19)9-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyDVQJTRSROFHELU-UHFFFAOYSA-N
XLogP2.92
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
4-(cyanomethyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 60971116
N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221
N-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63310216
[(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium
CID 6961768
N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103998
N-(4-chloro-3-nitrophenyl)-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 71857133
methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate
CID 99795763
N-(3,4-dichlorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78842119
N-(3,4-dichlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
CID 40620726
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24534614
2-[4-[(4-chloro-3-fluorophenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61468063

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide (CID 17486743) is N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide is CC(C)CNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is DVQJTRSROFHELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N4O2/c1-12(2)10-20-16(24)11-22-5-7-23(8-6-22)17(25)21-13-3-4-14(18)15(19)9-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 387.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 17486743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).