N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide

C17H23Cl2N5O2 — CID 67220645

IUPACN-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide
SMILESCN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C17H23Cl2N5O2/c1-22-5-4-20-15(11-22)16(25)23-6-8-24(9-7-23)17(26)21-12-2-3-13(18)14(19)10-12/h2-3,10,15,20H,4-9,11H2,1H3,(H,21,26)/t15-/m1/s1
InChIKeyAGOIHCOCOBMQTP-OAHLLOKOSA-N
MW400.31 g/mol
LogP1.57
Rot. Bonds2

About N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide

N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide (PubChem CID 67220645) has the molecular formula C17H23Cl2N5O2 and a molecular weight of 400.31 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide
PubChem CID67220645
Molecular FormulaC17H23Cl2N5O2
Molecular Weight400.31 g/mol
Exact Mass399.12
IUPAC NameN-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide
SMILESCN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C17H23Cl2N5O2/c1-22-5-4-20-15(11-22)16(25)23-6-8-24(9-7-23)17(26)21-12-2-3-13(18)14(19)10-12/h2-3,10,15,20H,4-9,11H2,1H3,(H,21,26)/t15-/m1/s1
InChIKeyAGOIHCOCOBMQTP-OAHLLOKOSA-N
XLogP1.57
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8,9-dichloro-2,3,4,4a-tetrahydro-1H-pyrazino(1,2-a)quinoxalin-5(6H)-one
CID 3906894
1-(3,4-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783423
1-(3,5-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783424
N-(3,4-dichlorophenyl)-4-[[(2S)-4-ethylmorpholin-2-yl]methyl]piperazine-1-carboxamide
CID 11711078
N-(3,4-dichlorophenyl)-4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-carboxamide
CID 57656641
N-(3,4-dichlorophenyl)-4-(4-ethylmorpholine-2-carbonyl)piperazine-1-carboxamide
CID 57656729
4-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 57656869
6-(4-(3,4-dichlorophenyl)piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 72894274
6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 156905880
N-(3,4-dichlorophenyl)-1,4'-bipiperidine-1'-carboxamide
CID 3239572
(R)-8,9-Dichloro-2,3,4,4a-Tetrahydro-1H-Pyrazino[1,2-a]Quinoxalin-5(6H)-One
CID 6604916
3-[1-(3,4-Dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10183204

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide (CID 67220645) is N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide is CN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide?
The InChIKey is AGOIHCOCOBMQTP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23Cl2N5O2/c1-22-5-4-20-15(11-22)16(25)23-6-8-24(9-7-23)17(26)21-12-2-3-13(18)14(19)10-12/h2-3,10,15,20H,4-9,11H2,1H3,(H,21,26)/t15-/m1/s1.
What are the key properties of N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide has a molecular weight of 400.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 67220645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).