tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate

C19H27N3O3 — CID 102541139

IUPACtert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)N(c1ccc(C2CCCCN2C=O)cn1)C1CC1
InChIInChI=1S/C19H27N3O3/c1-19(2,3)25-18(24)22(15-8-9-15)17-10-7-14(12-20-17)16-6-4-5-11-21(16)13-23/h7,10,12-13,15-16H,4-6,8-9,11H2,1-3H3
InChIKeyKGTNWRBYWUIJJQ-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.67
Rot. Bonds4

About tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate

tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate (PubChem CID 102541139) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate
PubChem CID102541139
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nametert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)N(c1ccc(C2CCCCN2C=O)cn1)C1CC1
InChIInChI=1S/C19H27N3O3/c1-19(2,3)25-18(24)22(15-8-9-15)17-10-7-14(12-20-17)16-6-4-5-11-21(16)13-23/h7,10,12-13,15-16H,4-6,8-9,11H2,1-3H3
InChIKeyKGTNWRBYWUIJJQ-UHFFFAOYSA-N
XLogP3.67
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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
tert-butyl N-cyclobutyl-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541179
tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541141
benzyl 2-[6-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]piperidine-1-carboxylate
CID 102541138
2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde
CID 102539774
2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde
CID 102539308
tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-methylcarbamate
CID 102540702
tert-butyl N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540843
2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde
CID 102539255
tert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541066
tert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102540798

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate (CID 102541139) is tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)N(c1ccc(C2CCCCN2C=O)cn1)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate?
The InChIKey is KGTNWRBYWUIJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-19(2,3)25-18(24)22(15-8-9-15)17-10-7-14(12-20-17)16-6-4-5-11-21(16)13-23/h7,10,12-13,15-16H,4-6,8-9,11H2,1-3H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate?
tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate has a molecular weight of 345.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 102541139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).