2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one

C14H28N4O2 — CID 107223182

IUPAC2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)N1CCCN(CCO)CC1
InChIInChI=1S/C14H28N4O2/c1-13(14(20)18-7-3-15-4-8-18)17-6-2-5-16(9-10-17)11-12-19/h13,15,19H,2-12H2,1H3
InChIKeyHEFHCJWOVPIOQS-UHFFFAOYSA-N
MW284.40 g/mol
LogP-1.19
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one

2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 107223182) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID107223182
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)N1CCCN(CCO)CC1
InChIInChI=1S/C14H28N4O2/c1-13(14(20)18-7-3-15-4-8-18)17-6-2-5-16(9-10-17)11-12-19/h13,15,19H,2-12H2,1H3
InChIKeyHEFHCJWOVPIOQS-UHFFFAOYSA-N
XLogP-1.19
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Piperazinone, 3,3-dimethyl-4-(2-hydroxyethyl)-
CID 211160
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 72160352
(2S)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95739442
(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95739443
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylpiperazine-2-carboxamide
CID 107480025
N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 107480037
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide
CID 107481590
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 107481591
N-(2-Hydroxyethyl)-2-(1-isopropyl-3-oxopiperazin-2-YL)-N-propylacetamide
CID 50950533
2-Methyl-1-(piperazin-1-ylacetyl)-1,4-diazepan-5-one
CID 56917265
4-(2-Hydroxyethyl)-3-methylpiperazin-2-one
CID 14274853
4-(2-Hydroxyethyl)-5-methylpiperazin-2-one
CID 14274854

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one (CID 107223182) is 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCNCC1)N1CCCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is HEFHCJWOVPIOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-13(14(20)18-7-3-15-4-8-18)17-6-2-5-16(9-10-17)11-12-19/h13,15,19H,2-12H2,1H3.
What are the key properties of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one?
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 284.40 g/mol, XLogP of -1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 107223182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).