tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate

C23H39N3O2 — CID 124552679

IUPACtert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate
SMILESCCCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@H](C)CC
InChIInChI=1S/C23H39N3O2/c1-7-9-16-25-17-11-10-14-20(25)19-13-12-15-24-21(19)26(18(3)8-2)22(27)28-23(4,5)6/h12-13,15,18,20H,7-11,14,16-17H2,1-6H3/t18-,20+/m1/s1
InChIKeyIJIFHVIXKRFLBL-QUCCMNQESA-N
MW389.58 g/mol
LogP5.95
Rot. Bonds7

About tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate

tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate (PubChem CID 124552679) has the molecular formula C23H39N3O2 and a molecular weight of 389.58 g/mol. Its IUPAC name is tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate
PubChem CID124552679
Molecular FormulaC23H39N3O2
Molecular Weight389.58 g/mol
Exact Mass389.30
IUPAC Nametert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate
SMILESCCCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@H](C)CC
InChIInChI=1S/C23H39N3O2/c1-7-9-16-25-17-11-10-14-20(25)19-13-12-15-24-21(19)26(18(3)8-2)22(27)28-23(4,5)6/h12-13,15,18,20H,7-11,14,16-17H2,1-6H3/t18-,20+/m1/s1
InChIKeyIJIFHVIXKRFLBL-QUCCMNQESA-N
XLogP5.95
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate
CID 124552672
tert-butyl N-[3-(1-butylpiperidin-2-yl)-2-pyridinyl]-N-methylcarbamate
CID 102540751
tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541083
tert-butyl N-butan-2-yl-N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541084
tert-butyl N-[3-(1-methylpiperidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate
CID 102540970
3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine
CID 102540016
tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102540973
tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540875
tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate
CID 102541081
tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541278
tert-butyl N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540859
tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102540684

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate (CID 124552679) is tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate is CCCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@H](C)CC.
What is the InChIKey of tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate?
The InChIKey is IJIFHVIXKRFLBL-QUCCMNQESA-N. The full InChI is InChI=1S/C23H39N3O2/c1-7-9-16-25-17-11-10-14-20(25)19-13-12-15-24-21(19)26(18(3)8-2)22(27)28-23(4,5)6/h12-13,15,18,20H,7-11,14,16-17H2,1-6H3/t18-,20+/m1/s1.
What are the key properties of tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate?
tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate has a molecular weight of 389.58 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 124552679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).