[1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate

C16H24ClN5O3 — CID 174640244

IUPAC[1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(c2cc(C(=O)NN)cc(Cl)n2)CC1
InChIInChI=1S/C16H24ClN5O3/c1-16(2,3)20-15(24)25-11-4-6-22(7-5-11)13-9-10(14(23)21-18)8-12(17)19-13/h8-9,11H,4-7,18H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyYIGYVDWPKDHUCX-UHFFFAOYSA-N
MW369.85 g/mol
LogP1.83
Rot. Bonds3

About [1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate

[1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate (PubChem CID 174640244) has the molecular formula C16H24ClN5O3 and a molecular weight of 369.85 g/mol. Its IUPAC name is [1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate
PubChem CID174640244
Molecular FormulaC16H24ClN5O3
Molecular Weight369.85 g/mol
Exact Mass369.16
IUPAC Name[1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(c2cc(C(=O)NN)cc(Cl)n2)CC1
InChIInChI=1S/C16H24ClN5O3/c1-16(2,3)20-15(24)25-11-4-6-22(7-5-11)13-9-10(14(23)21-18)8-12(17)19-13/h8-9,11H,4-7,18H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyYIGYVDWPKDHUCX-UHFFFAOYSA-N
XLogP1.83
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate?
The IUPAC name of [1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate (CID 174640244) is [1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCN(c2cc(C(=O)NN)cc(Cl)n2)CC1.
What is the InChIKey of [1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate?
The InChIKey is YIGYVDWPKDHUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN5O3/c1-16(2,3)20-15(24)25-11-4-6-22(7-5-11)13-9-10(14(23)21-18)8-12(17)19-13/h8-9,11H,4-7,18H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of [1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate?
[1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate has a molecular weight of 369.85 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate is sourced from PubChem (CID 174640244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).