[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate

C15H24N4O2 — CID 174794058

IUPAC[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H]1CCCN(c2ccncc2N)C1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)18-14(20)21-11-5-4-8-19(10-11)13-6-7-17-9-12(13)16/h6-7,9,11H,4-5,8,10,16H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyJWUSQNLYZCHYDJ-NSHDSACASA-N
MW292.38 g/mol
LogP2.16
Rot. Bonds2

About [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate

[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate (PubChem CID 174794058) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate
PubChem CID174794058
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H]1CCCN(c2ccncc2N)C1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)18-14(20)21-11-5-4-8-19(10-11)13-6-7-17-9-12(13)16/h6-7,9,11H,4-5,8,10,16H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyJWUSQNLYZCHYDJ-NSHDSACASA-N
XLogP2.16
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate
CID 90281047
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate
CID 70975667
[1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate
CID 70975673
tert-butyl N-[(3R,4R)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate
CID 58386807
[1-(5-nitro-2-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate
CID 174683157
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
CID 143755854
tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane
CID 160643676
methyl 1-(3-chloro-4-pyridinyl)piperidine-3-carboxylate
CID 115538455
[1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid
CID 70982126
methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate
CID 70886809

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate?
The IUPAC name of [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate (CID 174794058) is [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate?
The canonical SMILES for [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@H]1CCCN(c2ccncc2N)C1.
What is the InChIKey of [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate?
The InChIKey is JWUSQNLYZCHYDJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,3)18-14(20)21-11-5-4-8-19(10-11)13-6-7-17-9-12(13)16/h6-7,9,11H,4-5,8,10,16H2,1-3H3,(H,18,20)/t11-/m0/s1.
What are the key properties of [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate?
[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate has a molecular weight of 292.38 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate is sourced from PubChem (CID 174794058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).