phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate

C18H21N3O2 — CID 4552577

IUPACphenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate
SMILESCN1CCN(c2ccc(NC(=O)Oc3ccccc3)cc2)CC1
InChIInChI=1S/C18H21N3O2/c1-20-11-13-21(14-12-20)16-9-7-15(8-10-16)19-18(22)23-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,19,22)
InChIKeyPKYRNWZXBAGHSM-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.05
Rot. Bonds3

About phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate

phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate (PubChem CID 4552577) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate
PubChem CID4552577
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Namephenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate
SMILESCN1CCN(c2ccc(NC(=O)Oc3ccccc3)cc2)CC1
InChIInChI=1S/C18H21N3O2/c1-20-11-13-21(14-12-20)16-9-7-15(8-10-16)19-18(22)23-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,19,22)
InChIKeyPKYRNWZXBAGHSM-UHFFFAOYSA-N
XLogP3.05
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[4-[4-[4-(phenoxycarbonylamino)phenyl]piperazin-1-yl]phenyl] acetate
CID 68857508
phenyl N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamate
CID 7084930
phenyl N-[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]carbamate
CID 70654499
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(phenoxymethyl)urea
CID 108888941
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
phenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate
CID 110668148
CID 157268184
CID 157268184
phenyl N-[4-[4-(2-ethyl-4,6-dimethylbenzene-3,5-diid-1-yl)piperazin-1-yl]phenyl]carbamate;tris(yttrium)
CID 59119293
(Z)-2,3-dimethyl-4-[4-(4-methylpiperazin-1-yl)anilino]-4-oxobut-2-enoic acid
CID 39201040
1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 48740743
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
1-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 2768327

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate?
The IUPAC name of phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate (CID 4552577) is phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate?
The canonical SMILES for phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate is CN1CCN(c2ccc(NC(=O)Oc3ccccc3)cc2)CC1.
What is the InChIKey of phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate?
The InChIKey is PKYRNWZXBAGHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20-11-13-21(14-12-20)16-9-7-15(8-10-16)19-18(22)23-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,19,22).
What are the key properties of phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate?
phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate has a molecular weight of 311.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate is sourced from PubChem (CID 4552577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).