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

C19H29N3O2 — CID 7964230

IUPAC4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
SMILESCN1CCN(C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)16-7-5-15(6-8-16)18(24)20-10-9-17(23)22-13-11-21(4)12-14-22/h5-8H,9-14H2,1-4H3,(H,20,24)
InChIKeyPVAFAWCOCMUQHJ-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.88
Rot. Bonds4

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

4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide (PubChem CID 7964230) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
PubChem CID7964230
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
SMILESCN1CCN(C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)16-7-5-15(6-8-16)18(24)20-10-9-17(23)22-13-11-21(4)12-14-22/h5-8H,9-14H2,1-4H3,(H,20,24)
InChIKeyPVAFAWCOCMUQHJ-UHFFFAOYSA-N
XLogP1.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide
CID 9205104
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349224
4-tert-butyl-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 9181013
N-[3-[4-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzamide;hydrochloride
CID 119423345
3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 119849558
N-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-tert-butylbenzamide
CID 9296439
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
4-tert-butyl-N-[3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-3-oxopropyl]benzamide
CID 55715854
4-tert-butyl-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzamide
CID 9226273
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499358
tert-butyl 4-[3-[(4-chlorobenzoyl)amino]propanoyl]piperazine-1-carboxylate
CID 16617166
4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 138111121

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide (CID 7964230) is 4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide is CN1CCN(C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide?
The InChIKey is PVAFAWCOCMUQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(2,3)16-7-5-15(6-8-16)18(24)20-10-9-17(23)22-13-11-21(4)12-14-22/h5-8H,9-14H2,1-4H3,(H,20,24).
What are the key properties of 4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide has a molecular weight of 331.46 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 7964230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).