2-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride

C20H32ClN5O2 — CID 162664504

IUPAC2-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(CC4CCCCC4)C3)CC2)nc1
InChIInChI=1S/C20H31N5O2.ClH/c26-18(23-27)17-12-21-19(22-13-17)25-10-7-20(8-11-25)6-9-24(15-20)14-16-4-2-1-3-5-16;/h12-13,16,27H,1-11,14-15H2,(H,23,26);1H
InChIKeyKRUNJJNFVFPTIH-UHFFFAOYSA-N
MW409.96 g/mol
LogP2.89
Rot. Bonds4

About 2-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride

2-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride (PubChem CID 162664504) has the molecular formula C20H32ClN5O2 and a molecular weight of 409.96 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
PubChem CID162664504
Molecular FormulaC20H32ClN5O2
Molecular Weight409.96 g/mol
Exact Mass409.22
IUPAC Name2-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(CC4CCCCC4)C3)CC2)nc1
InChIInChI=1S/C20H31N5O2.ClH/c26-18(23-27)17-12-21-19(22-13-17)25-10-7-20(8-11-25)6-9-24(15-20)14-16-4-2-1-3-5-16;/h12-13,16,27H,1-11,14-15H2,(H,23,26);1H
InChIKeyKRUNJJNFVFPTIH-UHFFFAOYSA-N
XLogP2.89
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 2-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 2-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride (CID 162664504) is 2-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 2-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride is Cl.O=C(NO)c1cnc(N2CCC3(CCN(CC4CCCCC4)C3)CC2)nc1.
What is the InChIKey of 2-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The InChIKey is KRUNJJNFVFPTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2.ClH/c26-18(23-27)17-12-21-19(22-13-17)25-10-7-20(8-11-25)6-9-24(15-20)14-16-4-2-1-3-5-16;/h12-13,16,27H,1-11,14-15H2,(H,23,26);1H.
What are the key properties of 2-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
2-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 162664504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).