4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride

C19H31ClN4O2 — CID 120730453

IUPAC4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride
SMILESCCCN(CCC)C(=O)CCC(=O)N1CCNCC1c1cccnc1.Cl
InChIInChI=1S/C19H30N4O2.ClH/c1-3-11-22(12-4-2)18(24)7-8-19(25)23-13-10-21-15-17(23)16-6-5-9-20-14-16;/h5-6,9,14,17,21H,3-4,7-8,10-13,15H2,1-2H3;1H
InChIKeyNGARUXYGHIZTBN-UHFFFAOYSA-N
MW382.94 g/mol
LogP2.41
Rot. Bonds8

About 4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride

4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride (PubChem CID 120730453) has the molecular formula C19H31ClN4O2 and a molecular weight of 382.94 g/mol. Its IUPAC name is 4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride
PubChem CID120730453
Molecular FormulaC19H31ClN4O2
Molecular Weight382.94 g/mol
Exact Mass382.21
IUPAC Name4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride
SMILESCCCN(CCC)C(=O)CCC(=O)N1CCNCC1c1cccnc1.Cl
InChIInChI=1S/C19H30N4O2.ClH/c1-3-11-22(12-4-2)18(24)7-8-19(25)23-13-10-21-15-17(23)16-6-5-9-20-14-16;/h5-6,9,14,17,21H,3-4,7-8,10-13,15H2,1-2H3;1H
InChIKeyNGARUXYGHIZTBN-UHFFFAOYSA-N
XLogP2.41
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732198
2-(4-butylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730121
1-(4-propylphenyl)-4-(2-pyridin-3-ylpiperazin-1-yl)butane-1,4-dione
CID 120732195
1-(4-propoxyphenyl)-4-(2-pyridin-3-ylpiperazin-1-yl)butane-1,4-dione;hydrochloride
CID 120732200
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride
CID 120731433
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 120736864
3-(4-methylpentan-2-yloxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120730863
N-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]acetamide
CID 120729613
3-(4-methylphenyl)sulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120731732
N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride
CID 120730149

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride?
The IUPAC name of 4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride (CID 120730453) is 4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride?
The canonical SMILES for 4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride is CCCN(CCC)C(=O)CCC(=O)N1CCNCC1c1cccnc1.Cl.
What is the InChIKey of 4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride?
The InChIKey is NGARUXYGHIZTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2.ClH/c1-3-11-22(12-4-2)18(24)7-8-19(25)23-13-10-21-15-17(23)16-6-5-9-20-14-16;/h5-6,9,14,17,21H,3-4,7-8,10-13,15H2,1-2H3;1H.
What are the key properties of 4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride?
4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride has a molecular weight of 382.94 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride is sourced from PubChem (CID 120730453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).