phenyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate

C24H26N4O2 — CID 3243390

IUPACphenyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate
SMILESO=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)Oc1ccccc1
InChIInChI=1S/C24H26N4O2/c29-24(30-22-11-5-2-6-12-22)26-19-23(20-8-7-13-25-18-20)28-16-14-27(15-17-28)21-9-3-1-4-10-21/h1-13,18,23H,14-17,19H2,(H,26,29)
InChIKeyVSKVKDOTEICFRN-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.73
Rot. Bonds6

About phenyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate

phenyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate (PubChem CID 3243390) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is phenyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate
PubChem CID3243390
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Namephenyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate
SMILESO=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)Oc1ccccc1
InChIInChI=1S/C24H26N4O2/c29-24(30-22-11-5-2-6-12-22)26-19-23(20-8-7-13-25-18-20)28-16-14-27(15-17-28)21-9-3-1-4-10-21/h1-13,18,23H,14-17,19H2,(H,26,29)
InChIKeyVSKVKDOTEICFRN-UHFFFAOYSA-N
XLogP3.73
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate?
The IUPAC name of phenyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate (CID 3243390) is phenyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate?
The canonical SMILES for phenyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate is O=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate?
The InChIKey is VSKVKDOTEICFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-24(30-22-11-5-2-6-12-22)26-19-23(20-8-7-13-25-18-20)28-16-14-27(15-17-28)21-9-3-1-4-10-21/h1-13,18,23H,14-17,19H2,(H,26,29).
What are the key properties of phenyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate?
phenyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate has a molecular weight of 402.50 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]carbamate is sourced from PubChem (CID 3243390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).