tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate

C23H34N2O4 — CID 23289906

IUPACtert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)C(O)(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C23H34N2O4/c1-22(2,3)29-21(27)25-15-13-19(14-16-25)24-20(26)23(28,18-11-7-8-12-18)17-9-5-4-6-10-17/h4-6,9-10,18-19,28H,7-8,11-16H2,1-3H3,(H,24,26)
InChIKeyDJWXHCBAWXNQTC-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.58
Rot. Bonds4

About tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate (PubChem CID 23289906) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate
PubChem CID23289906
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Nametert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)C(O)(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C23H34N2O4/c1-22(2,3)29-21(27)25-15-13-19(14-16-25)24-20(26)23(28,18-11-7-8-12-18)17-9-5-4-6-10-17/h4-6,9-10,18-19,28H,7-8,11-16H2,1-3H3,(H,24,26)
InChIKeyDJWXHCBAWXNQTC-UHFFFAOYSA-N
XLogP3.58
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 10810094
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate
CID 52731291
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 3-(1,1-diphenylethyl)pyrrolidine-1-carboxylate
CID 174192656
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate
CID 155162953
tert-butyl 4-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoyl]amino]piperidine-1-carboxylate
CID 60560756
tert-butyl 4-[[2-(methylamino)benzoyl]amino]piperidine-1-carboxylate
CID 126805389
2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 23289915
tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 53255659

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate (CID 23289906) is tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)C(O)(c2ccccc2)C2CCCC2)CC1.
What is the InChIKey of tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate?
The InChIKey is DJWXHCBAWXNQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-22(2,3)29-21(27)25-15-13-19(14-16-25)24-20(26)23(28,18-11-7-8-12-18)17-9-5-4-6-10-17/h4-6,9-10,18-19,28H,7-8,11-16H2,1-3H3,(H,24,26).
What are the key properties of tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate has a molecular weight of 402.54 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 23289906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).