benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate

C22H25N3O3 — CID 112502827

IUPACbenzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate
SMILESO=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)OCc1ccccc1
InChIInChI=1S/C22H25N3O3/c26-21(18-6-7-18)25-14-12-24(13-15-25)20-10-8-19(9-11-20)23-22(27)28-16-17-4-2-1-3-5-17/h1-5,8-11,18H,6-7,12-16H2,(H,23,27)
InChIKeyBAHCNIBQLFRPPI-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.49
Rot. Bonds5

About benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate

benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate (PubChem CID 112502827) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate
PubChem CID112502827
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Namebenzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate
SMILESO=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)OCc1ccccc1
InChIInChI=1S/C22H25N3O3/c26-21(18-6-7-18)25-14-12-24(13-15-25)20-10-8-19(9-11-20)23-22(27)28-16-17-4-2-1-3-5-17/h1-5,8-11,18H,6-7,12-16H2,(H,23,27)
InChIKeyBAHCNIBQLFRPPI-UHFFFAOYSA-N
XLogP3.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.49
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-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate
CID 67154778
benzyl N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]carbamate
CID 67225663
cyclopropyl-(4-phenylmethoxypiperazin-1-yl)methanone
CID 118075267
4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid
CID 18536514
benzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 42697137
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 112502808
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 112502796
benzyl 4-[4-[4-[(4-ethoxy-1-ethylindole-2-carbonyl)amino]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylate
CID 66772407
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
CID 7627537
benzyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]piperazine-1-carboxylate
CID 59419487

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate?
The IUPAC name of benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate (CID 112502827) is benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate?
The canonical SMILES for benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate is O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate?
The InChIKey is BAHCNIBQLFRPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-21(18-6-7-18)25-14-12-24(13-15-25)20-10-8-19(9-11-20)23-22(27)28-16-17-4-2-1-3-5-17/h1-5,8-11,18H,6-7,12-16H2,(H,23,27).
What are the key properties of benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate?
benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate has a molecular weight of 379.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate is sourced from PubChem (CID 112502827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).