2-amino-1,3-di(piperazin-1-yl)propan-1-one

C11H23N5O — CID 82511538

IUPAC2-amino-1,3-di(piperazin-1-yl)propan-1-one
SMILESNC(CN1CCNCC1)C(=O)N1CCNCC1
InChIInChI=1S/C11H23N5O/c12-10(9-15-5-1-13-2-6-15)11(17)16-7-3-14-4-8-16/h10,13-14H,1-9,12H2
InChIKeyRHWNIOHAKUSKTE-UHFFFAOYSA-N
MW241.34 g/mol
LogP-2.35
Rot. Bonds3

About 2-amino-1,3-di(piperazin-1-yl)propan-1-one

2-amino-1,3-di(piperazin-1-yl)propan-1-one (PubChem CID 82511538) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-amino-1,3-di(piperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1,3-di(piperazin-1-yl)propan-1-one
PubChem CID82511538
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC Name2-amino-1,3-di(piperazin-1-yl)propan-1-one
SMILESNC(CN1CCNCC1)C(=O)N1CCNCC1
InChIInChI=1S/C11H23N5O/c12-10(9-15-5-1-13-2-6-15)11(17)16-7-3-14-4-8-16/h10,13-14H,1-9,12H2
InChIKeyRHWNIOHAKUSKTE-UHFFFAOYSA-N
XLogP-2.35
TPSA73.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 5-2.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
2-amino-1-piperazin-1-ylhex-5-yn-1-one
CID 82505467
2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one
CID 67792210
(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 93315595
zinc;(2S)-2-amino-1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-1-one;hydrate
CID 139261928
2-amino-4-oxo-4-piperazin-1-ylbutanoic acid
CID 70945873
2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
CID 142196227
(2R)-2-amino-1-(1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 78985520
1-(2,2-difluoroethyl)piperazine
CID 19622797
6-amino-2-methyl-1-piperazin-1-ylheptan-1-one
CID 65292866
2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid
CID 175272777

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-di(piperazin-1-yl)propan-1-one?
The IUPAC name of 2-amino-1,3-di(piperazin-1-yl)propan-1-one (CID 82511538) is 2-amino-1,3-di(piperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1,3-di(piperazin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1,3-di(piperazin-1-yl)propan-1-one is NC(CN1CCNCC1)C(=O)N1CCNCC1.
What is the InChIKey of 2-amino-1,3-di(piperazin-1-yl)propan-1-one?
The InChIKey is RHWNIOHAKUSKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c12-10(9-15-5-1-13-2-6-15)11(17)16-7-3-14-4-8-16/h10,13-14H,1-9,12H2.
What are the key properties of 2-amino-1,3-di(piperazin-1-yl)propan-1-one?
2-amino-1,3-di(piperazin-1-yl)propan-1-one has a molecular weight of 241.34 g/mol, XLogP of -2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-di(piperazin-1-yl)propan-1-one is sourced from PubChem (CID 82511538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).