tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate

C23H33N3O4 — CID 24575440

IUPACtert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C23H33N3O4/c1-23(2,3)30-22(29)26-13-7-10-18(16-26)21(28)25-14-11-19(12-15-25)24-20(27)17-8-5-4-6-9-17/h4-6,8-9,18-19H,7,10-16H2,1-3H3,(H,24,27)
InChIKeySMICVAJJMDBUJC-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.05
Rot. Bonds3

About tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate

tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 24575440) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID24575440
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Nametert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C23H33N3O4/c1-23(2,3)30-22(29)26-13-7-10-18(16-26)21(28)25-14-11-19(12-15-25)24-20(27)17-8-5-4-6-9-17/h4-6,8-9,18-19H,7,10-16H2,1-3H3,(H,24,27)
InChIKeySMICVAJJMDBUJC-UHFFFAOYSA-N
XLogP3.05
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 4-(benzoylcarbamothioylamino)piperidine-1-carboxylate
CID 75480976
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 122598194
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
tert-butyl 3-(3-phenylazepane-1-carbonyl)piperidine-1-carboxylate
CID 121146182
tert-butyl 3-(benzoylcarbamoyl)pyrrolidine-1-carboxylate
CID 169094514
N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide
CID 42892598
tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 50986434
tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666
tert-butyl (3S)-3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylate
CID 169298596

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate (CID 24575440) is tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1.
What is the InChIKey of tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is SMICVAJJMDBUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-23(2,3)30-22(29)26-13-7-10-18(16-26)21(28)25-14-11-19(12-15-25)24-20(27)17-8-5-4-6-9-17/h4-6,8-9,18-19H,7,10-16H2,1-3H3,(H,24,27).
What are the key properties of tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate?
tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 415.53 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 24575440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).