(2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one

C19H40N6O — CID 151842926

IUPAC(2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one
SMILESCC(N)CN1CCN([C@H](C)C(=O)[C@@H](C)N2CCN(CC(C)N)CC2)CC1
InChIInChI=1S/C19H40N6O/c1-15(20)13-22-5-9-24(10-6-22)17(3)19(26)18(4)25-11-7-23(8-12-25)14-16(2)21/h15-18H,5-14,20-21H2,1-4H3/t15?,16?,17-,18-/m1/s1
InChIKeySHAZZAQPAXWEEH-OPQOLIRYSA-N
MW368.57 g/mol
LogP-0.74
Rot. Bonds8

About (2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one

(2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one (PubChem CID 151842926) has the molecular formula C19H40N6O and a molecular weight of 368.57 g/mol. Its IUPAC name is (2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one.

Molecular Properties

Compound Name(2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one
PubChem CID151842926
Molecular FormulaC19H40N6O
Molecular Weight368.57 g/mol
Exact Mass368.33
IUPAC Name(2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one
SMILESCC(N)CN1CCN([C@H](C)C(=O)[C@@H](C)N2CCN(CC(C)N)CC2)CC1
InChIInChI=1S/C19H40N6O/c1-15(20)13-22-5-9-24(10-6-22)17(3)19(26)18(4)25-11-7-23(8-12-25)14-16(2)21/h15-18H,5-14,20-21H2,1-4H3/t15?,16?,17-,18-/m1/s1
InChIKeySHAZZAQPAXWEEH-OPQOLIRYSA-N
XLogP-0.74
TPSA82.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one
CID 151041941
1-[4-(2-aminopropyl)piperazin-1-yl]ethanone
CID 16787068
oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine
CID 88639332
ethyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 107877031
4-(2-aminopropyl)piperazine-1-carbaldehyde
CID 21054639
(2S)-1-(azepan-1-yl)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 95320713
tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 53350324
2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid
CID 65062556
(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
CID 94197824
1-[(2R)-2-aminopropyl]piperidin-4-ol
CID 130939157
1-(2-aminopropyl)-N-methylpiperidine-4-carboxamide
CID 102688944
2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid
CID 62312469

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one?
The IUPAC name of (2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one (CID 151842926) is (2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one.
What is the SMILES notation for (2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one?
The canonical SMILES for (2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one is CC(N)CN1CCN([C@H](C)C(=O)[C@@H](C)N2CCN(CC(C)N)CC2)CC1.
What is the InChIKey of (2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one?
The InChIKey is SHAZZAQPAXWEEH-OPQOLIRYSA-N. The full InChI is InChI=1S/C19H40N6O/c1-15(20)13-22-5-9-24(10-6-22)17(3)19(26)18(4)25-11-7-23(8-12-25)14-16(2)21/h15-18H,5-14,20-21H2,1-4H3/t15?,16?,17-,18-/m1/s1.
What are the key properties of (2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one?
(2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one has a molecular weight of 368.57 g/mol, XLogP of -0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one is sourced from PubChem (CID 151842926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).