tert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate

C15H26N4O2 — CID 86341624

IUPACtert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCN(C2=C(N)CNC=C2)C1
InChIInChI=1S/C15H26N4O2/c1-15(2,3)21-14(20)18-11-5-4-8-19(10-11)13-6-7-17-9-12(13)16/h6-7,11,17H,4-5,8-10,16H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyLCSLBBYUAJUGFH-NSHDSACASA-N
MW294.40 g/mol
LogP1.26
Rot. Bonds2

About tert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate

tert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate (PubChem CID 86341624) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate
PubChem CID86341624
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCN(C2=C(N)CNC=C2)C1
InChIInChI=1S/C15H26N4O2/c1-15(2,3)21-14(20)18-11-5-4-8-19(10-11)13-6-7-17-9-12(13)16/h6-7,11,17H,4-5,8-10,16H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyLCSLBBYUAJUGFH-NSHDSACASA-N
XLogP1.26
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408080
tert-butyl N-[(3R)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408081
tert-butyl N-[(3R)-1-(2-bromo-6-formylphenyl)piperidin-3-yl]carbamate
CID 58423167
tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate
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tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]carbamate
CID 86329478
tert-butyl N-[(3S)-1-(5-iodopyrimidin-2-yl)piperidin-3-yl]carbamate
CID 171390444
tert-butyl N-[1-(4-amino-2-pyridinyl)piperidin-3-yl]carbamate
CID 91811841
tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate
CID 77473382
tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate
CID 137310018
tert-butyl N-[(3R)-1-(4-formylphenyl)piperidin-3-yl]carbamate
CID 124678829
methyl 4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]benzoate
CID 90090878
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate (CID 86341624) is tert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCCN(C2=C(N)CNC=C2)C1.
What is the InChIKey of tert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate?
The InChIKey is LCSLBBYUAJUGFH-NSHDSACASA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2,3)21-14(20)18-11-5-4-8-19(10-11)13-6-7-17-9-12(13)16/h6-7,11,17H,4-5,8-10,16H2,1-3H3,(H,18,20)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate has a molecular weight of 294.40 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 86341624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).