[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate

C19H24N4O2 — CID 67280947

IUPAC[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate
SMILESNC(=O)OC(CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C19H24N4O2/c20-19(24)25-17(16-6-2-1-3-7-16)9-11-22-12-14-23(15-13-22)18-8-4-5-10-21-18/h1-8,10,17H,9,11-15H2,(H2,20,24)
InChIKeyMXHHMSOYGOLVRZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.43
Rot. Bonds6

About [1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate

[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate (PubChem CID 67280947) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate.

Molecular Properties

Compound Name[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate
PubChem CID67280947
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate
SMILESNC(=O)OC(CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C19H24N4O2/c20-19(24)25-17(16-6-2-1-3-7-16)9-11-22-12-14-23(15-13-22)18-8-4-5-10-21-18/h1-8,10,17H,9,11-15H2,(H2,20,24)
InChIKeyMXHHMSOYGOLVRZ-UHFFFAOYSA-N
XLogP2.43
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Azaperol
CID 3080589
(S)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350942
1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine
CID 4913097
Benzyl 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate
CID 9923385
Benzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
CID 10268204
Benzyl 4-[(pyrimidin-4-ylamino)methyl]piperidine-1-carboxylate
CID 10268255
((+/-)-1-Phenethyl 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate
CID 16109389
(S)-N-phenyl-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954444
(S)-2-Benzyloxycarbonylamino-3-[5-methyl-2-oxo-4-(4-pyridin-2-yl-piperazin-1-yl)-2H-pyrimidin-1-yl]-propionic acid
CID 44291221
benzyl N-[(2S)-1-oxo-6-(prop-2-enoylamino)-1-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]hexan-2-yl]carbamate
CID 71450342
benzyl N-[(2S)-1-oxo-6-(prop-2-enoylamino)-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]hexan-2-yl]carbamate
CID 71453979
benzyl N-[(2S)-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1-oxo-6-(prop-2-enoylamino)hexan-2-yl]carbamate
CID 71453980

Frequently Asked Questions

What is the IUPAC name of [1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate?
The IUPAC name of [1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate (CID 67280947) is [1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate.
What is the SMILES notation for [1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate?
The canonical SMILES for [1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate is NC(=O)OC(CCN1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of [1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate?
The InChIKey is MXHHMSOYGOLVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c20-19(24)25-17(16-6-2-1-3-7-16)9-11-22-12-14-23(15-13-22)18-8-4-5-10-21-18/h1-8,10,17H,9,11-15H2,(H2,20,24).
What are the key properties of [1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate?
[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate has a molecular weight of 340.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate is sourced from PubChem (CID 67280947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).