4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide

C19H29N3O2 — CID 119426239

IUPAC4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)NC2CCCNC2)cc1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)15-8-6-14(7-9-15)18(24)21-12-10-17(23)22-16-5-4-11-20-13-16/h6-9,16,20H,4-5,10-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyYXUNLQLFHUGUAC-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.97
Rot. Bonds5

About 4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide

4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide (PubChem CID 119426239) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide
PubChem CID119426239
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)NC2CCCNC2)cc1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)15-8-6-14(7-9-15)18(24)21-12-10-17(23)22-16-5-4-11-20-13-16/h6-9,16,20H,4-5,10-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyYXUNLQLFHUGUAC-UHFFFAOYSA-N
XLogP1.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide
CID 119556823
N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97200837
2-(4-tert-butylphenoxy)-N-piperidin-3-ylacetamide
CID 119428082
4-tert-butyl-N-[3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 32541124
N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119428252
4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 6938267
4-chloro-N-[4-oxo-4-(pyrrolidin-3-ylamino)butyl]benzamide
CID 119451983
4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 24504193
4-(acetamidomethyl)-N-piperidin-3-ylbenzamide
CID 119425557
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide
CID 119426962
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide (CID 119426239) is 4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCC(=O)NC2CCCNC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide?
The InChIKey is YXUNLQLFHUGUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(2,3)15-8-6-14(7-9-15)18(24)21-12-10-17(23)22-16-5-4-11-20-13-16/h6-9,16,20H,4-5,10-13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide?
4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide has a molecular weight of 331.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide is sourced from PubChem (CID 119426239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).