[2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate

C19H22N4O4 — CID 67376976

IUPAC[2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate
SMILESNC(=O)OCC(=O)N1CCN(c2ccc(OCc3ccccc3)cn2)CC1
InChIInChI=1S/C19H22N4O4/c20-19(25)27-14-18(24)23-10-8-22(9-11-23)17-7-6-16(12-21-17)26-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H2,20,25)
InChIKeyPRMLQOPHANFNDJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.40
Rot. Bonds6

About [2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate

[2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate (PubChem CID 67376976) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate.

Molecular Properties

Compound Name[2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate
PubChem CID67376976
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name[2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate
SMILESNC(=O)OCC(=O)N1CCN(c2ccc(OCc3ccccc3)cn2)CC1
InChIInChI=1S/C19H22N4O4/c20-19(25)27-14-18(24)23-10-8-22(9-11-23)17-7-6-16(12-21-17)26-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H2,20,25)
InChIKeyPRMLQOPHANFNDJ-UHFFFAOYSA-N
XLogP1.40
TPSA97.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971618
1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122336438
2-bromo-5-phenylmethoxypyridine;tert-butyl 4-(5-phenylmethoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 158804700
6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971614
2-(4-phenylmethoxyphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 134035859
2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
CID 58117978
1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
CID 90876902
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 4637289
(2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607617
1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122335567
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122350830
N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109152128

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate?
The IUPAC name of [2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate (CID 67376976) is [2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate.
What is the SMILES notation for [2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate?
The canonical SMILES for [2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate is NC(=O)OCC(=O)N1CCN(c2ccc(OCc3ccccc3)cn2)CC1.
What is the InChIKey of [2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate?
The InChIKey is PRMLQOPHANFNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c20-19(25)27-14-18(24)23-10-8-22(9-11-23)17-7-6-16(12-21-17)26-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H2,20,25).
What are the key properties of [2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate?
[2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate has a molecular weight of 370.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate is sourced from PubChem (CID 67376976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).