tert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate

C19H30N4O3 — CID 51129025

IUPACtert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)C1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C19H30N4O3/c1-19(2,3)26-18(25)22-11-10-21-17(24)15-7-6-12-23(13-15)14-16-8-4-5-9-20-16/h4-5,8-9,15H,6-7,10-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyHZJLOABNUTYCGC-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.93
Rot. Bonds6

About tert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate

tert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate (PubChem CID 51129025) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate
PubChem CID51129025
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Nametert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)C1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C19H30N4O3/c1-19(2,3)26-18(25)22-11-10-21-17(24)15-7-6-12-23(13-15)14-16-8-4-5-9-20-16/h4-5,8-9,15H,6-7,10-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyHZJLOABNUTYCGC-UHFFFAOYSA-N
XLogP1.93
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate
CID 97174124
(3R)-N-(6-methyl-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95139642
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 96558079
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
tert-butyl N-[2-[[1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carbonyl]amino]ethyl]carbamate
CID 48944150
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
tert-butyl N-[2-[[1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carbonyl]amino]ethyl]carbamate
CID 48944041
tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 94813303
N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide
CID 77041469
(4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 3783118

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate (CID 51129025) is tert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)C1CCCN(Cc2ccccn2)C1.
What is the InChIKey of tert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate?
The InChIKey is HZJLOABNUTYCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-19(2,3)26-18(25)22-11-10-21-17(24)15-7-6-12-23(13-15)14-16-8-4-5-9-20-16/h4-5,8-9,15H,6-7,10-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of tert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate has a molecular weight of 362.47 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 51129025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).