4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride

C13H28Cl2N4O2 — CID 120564659

IUPAC4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCCC(=O)N1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C13H26N4O2.2ClH/c1-11(14)3-4-12(18)15-6-5-13(19)17-9-7-16(2)8-10-17;;/h11H,3-10,14H2,1-2H3,(H,15,18);2*1H
InChIKeyUASPGSZQPANAQZ-UHFFFAOYSA-N
MW343.30 g/mol
LogP0.24
Rot. Bonds6

About 4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride

4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride (PubChem CID 120564659) has the molecular formula C13H28Cl2N4O2 and a molecular weight of 343.30 g/mol. Its IUPAC name is 4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride
PubChem CID120564659
Molecular FormulaC13H28Cl2N4O2
Molecular Weight343.30 g/mol
Exact Mass342.16
IUPAC Name4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCCC(=O)N1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C13H26N4O2.2ClH/c1-11(14)3-4-12(18)15-6-5-13(19)17-9-7-16(2)8-10-17;;/h11H,3-10,14H2,1-2H3,(H,15,18);2*1H
InChIKeyUASPGSZQPANAQZ-UHFFFAOYSA-N
XLogP0.24
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]butanamide
CID 119849548
(2S)-2-amino-3,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]butanamide;dihydrochloride
CID 119849543
4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560567
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride
CID 119849545
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
4-amino-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]pentanamide;hydrochloride
CID 120562655
2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 119849520
3-(2-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]propanamide;dihydrochloride
CID 120612401
2-(3-aminobutylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 66232847
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 127518835
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119849539

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride (CID 120564659) is 4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride is CC(N)CCC(=O)NCCC(=O)N1CCN(C)CC1.Cl.Cl.
What is the InChIKey of 4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride?
The InChIKey is UASPGSZQPANAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2.2ClH/c1-11(14)3-4-12(18)15-6-5-13(19)17-9-7-16(2)8-10-17;;/h11H,3-10,14H2,1-2H3,(H,15,18);2*1H.
What are the key properties of 4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride?
4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride has a molecular weight of 343.30 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120564659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).