tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate

C25H31N3O3 — CID 102541141

IUPACtert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(c1ccc(C2CCCCN2C(=O)c2ccccc2)cn1)C1CC1
InChIInChI=1S/C25H31N3O3/c1-25(2,3)31-24(30)28(20-13-14-20)22-15-12-19(17-26-22)21-11-7-8-16-27(21)23(29)18-9-5-4-6-10-18/h4-6,9-10,12,15,17,20-21H,7-8,11,13-14,16H2,1-3H3
InChIKeyHLZHBSPVJFKMKP-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.35
Rot. Bonds4

About tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate

tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate (PubChem CID 102541141) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
PubChem CID102541141
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Nametert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(c1ccc(C2CCCCN2C(=O)c2ccccc2)cn1)C1CC1
InChIInChI=1S/C25H31N3O3/c1-25(2,3)31-24(30)28(20-13-14-20)22-15-12-19(17-26-22)21-11-7-8-16-27(21)23(29)18-9-5-4-6-10-18/h4-6,9-10,12,15,17,20-21H,7-8,11,13-14,16H2,1-3H3
InChIKeyHLZHBSPVJFKMKP-UHFFFAOYSA-N
XLogP5.35
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[6-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]piperidine-1-carboxylate
CID 102541138
tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541139
tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541132
tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541195
[2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102539784
tert-butyl N-cyclobutyl-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541179
tert-butyl N-[5-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-phenylcarbamate
CID 102541375
tert-butyl 2-[6-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540929
[2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 102540373
benzyl 2-[6-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540832
tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541520
[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102541890

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate (CID 102541141) is tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate is CC(C)(C)OC(=O)N(c1ccc(C2CCCCN2C(=O)c2ccccc2)cn1)C1CC1.
What is the InChIKey of tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate?
The InChIKey is HLZHBSPVJFKMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-25(2,3)31-24(30)28(20-13-14-20)22-15-12-19(17-26-22)21-11-7-8-16-27(21)23(29)18-9-5-4-6-10-18/h4-6,9-10,12,15,17,20-21H,7-8,11,13-14,16H2,1-3H3.
What are the key properties of tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate?
tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate has a molecular weight of 421.54 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 102541141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).