4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide

C19H30N4O2 — CID 9205104

IUPAC4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide
SMILESCN1CCN(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)16-7-5-15(6-8-16)18(25)20-10-9-17(24)21-23-13-11-22(4)12-14-23/h5-8H,9-14H2,1-4H3,(H,20,25)(H,21,24)
InChIKeyDMZBOLOPBJLLLH-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.38
Rot. Bonds5

About 4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide

4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide (PubChem CID 9205104) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide
PubChem CID9205104
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide
SMILESCN1CCN(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)16-7-5-15(6-8-16)18(25)20-10-9-17(24)21-23-13-11-22(4)12-14-23/h5-8H,9-14H2,1-4H3,(H,20,25)(H,21,24)
InChIKeyDMZBOLOPBJLLLH-UHFFFAOYSA-N
XLogP1.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964230
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
4-tert-butyl-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
CID 110878328
4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 144530451
4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide
CID 4062495
4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide
CID 18166332
4-tert-butyl-N-[3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 32541124
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide
CID 55629039
4-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-methylpentanoic acid
CID 119357141
N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide
CID 119641381
4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide
CID 119426239

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide (CID 9205104) is 4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide is CN1CCN(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is DMZBOLOPBJLLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-19(2,3)16-7-5-15(6-8-16)18(25)20-10-9-17(24)21-23-13-11-22(4)12-14-23/h5-8H,9-14H2,1-4H3,(H,20,25)(H,21,24).
What are the key properties of 4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 346.48 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 9205104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).