tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate

C21H35N3O2 — CID 102540973

IUPACtert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)c1ncccc1C1CCCCN1C(C)C
InChIInChI=1S/C21H35N3O2/c1-15(2)23-14-9-8-12-18(23)17-11-10-13-22-19(17)24(16(3)4)20(25)26-21(5,6)7/h10-11,13,15-16,18H,8-9,12,14H2,1-7H3
InChIKeySUKNHVXKVYYYPU-UHFFFAOYSA-N
MW361.53 g/mol
LogP5.17
Rot. Bonds4

About tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate

tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate (PubChem CID 102540973) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate
PubChem CID102540973
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Nametert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)c1ncccc1C1CCCCN1C(C)C
InChIInChI=1S/C21H35N3O2/c1-15(2)23-14-9-8-12-18(23)17-11-10-13-22-19(17)24(16(3)4)20(25)26-21(5,6)7/h10-11,13,15-16,18H,8-9,12,14H2,1-7H3
InChIKeySUKNHVXKVYYYPU-UHFFFAOYSA-N
XLogP5.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate (CID 102540973) is tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate is CC(C)N(C(=O)OC(C)(C)C)c1ncccc1C1CCCCN1C(C)C.
What is the InChIKey of tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate?
The InChIKey is SUKNHVXKVYYYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-15(2)23-14-9-8-12-18(23)17-11-10-13-22-19(17)24(16(3)4)20(25)26-21(5,6)7/h10-11,13,15-16,18H,8-9,12,14H2,1-7H3.
What are the key properties of tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate?
tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate has a molecular weight of 361.53 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 102540973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).