N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride

C19H23Cl2N5O — CID 137028397

IUPACN-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride
SMILESCc1ccc(N2CCN(C(=O)N/C(N)=N/c3ccc(Cl)cc3)CC2)cc1.Cl
InChIInChI=1S/C19H22ClN5O.ClH/c1-14-2-8-17(9-3-14)24-10-12-25(13-11-24)19(26)23-18(21)22-16-6-4-15(20)5-7-16;/h2-9H,10-13H2,1H3,(H3,21,22,23,26);1H
InChIKeyYUVPZUPZVIXSIC-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.55
Rot. Bonds2

About N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride

N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 137028397) has the molecular formula C19H23Cl2N5O and a molecular weight of 408.33 g/mol. Its IUPAC name is N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride
PubChem CID137028397
Molecular FormulaC19H23Cl2N5O
Molecular Weight408.33 g/mol
Exact Mass407.13
IUPAC NameN-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride
SMILESCc1ccc(N2CCN(C(=O)N/C(N)=N/c3ccc(Cl)cc3)CC2)cc1.Cl
InChIInChI=1S/C19H22ClN5O.ClH/c1-14-2-8-17(9-3-14)24-10-12-25(13-11-24)19(26)23-18(21)22-16-6-4-15(20)5-7-16;/h2-9H,10-13H2,1H3,(H3,21,22,23,26);1H
InChIKeyYUVPZUPZVIXSIC-UHFFFAOYSA-N
XLogP3.55
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride
CID 137028391
4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide
CID 43328946
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methylbenzamide
CID 3917677
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
(E)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one
CID 868669
ethyl 4-[(2R)-2-[[4-(4-chlorophenyl)piperazine-1-carbonyl]amino]propanoyl]piperazine-1-carboxylate
CID 96564180
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
CID 110874514
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
CID 70949261
ethyl 4-[4-[(4-chlorobenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984401

Frequently Asked Questions

What is the IUPAC name of N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride (CID 137028397) is N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride is Cc1ccc(N2CCN(C(=O)N/C(N)=N/c3ccc(Cl)cc3)CC2)cc1.Cl.
What is the InChIKey of N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is YUVPZUPZVIXSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O.ClH/c1-14-2-8-17(9-3-14)24-10-12-25(13-11-24)19(26)23-18(21)22-16-6-4-15(20)5-7-16;/h2-9H,10-13H2,1H3,(H3,21,22,23,26);1H.
What are the key properties of N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride?
N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 408.33 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 137028397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).