N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

C16H26N4O3S — CID 87749002

IUPACN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCC(CCCC(=O)NO)CC2)c(C)s1
InChIInChI=1S/C16H26N4O3S/c1-11-14(18-12(2)24-11)10-17-16(22)20-8-6-13(7-9-20)4-3-5-15(21)19-23/h13,23H,3-10H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyJILUHLLNPWVTCL-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.36
Rot. Bonds6

About N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (PubChem CID 87749002) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
PubChem CID87749002
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCC(CCCC(=O)NO)CC2)c(C)s1
InChIInChI=1S/C16H26N4O3S/c1-11-14(18-12(2)24-11)10-17-16(22)20-8-6-13(7-9-20)4-3-5-15(21)19-23/h13,23H,3-10H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyJILUHLLNPWVTCL-UHFFFAOYSA-N
XLogP2.36
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (CID 87749002) is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is Cc1nc(CNC(=O)N2CCC(CCCC(=O)NO)CC2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The InChIKey is JILUHLLNPWVTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-11-14(18-12(2)24-11)10-17-16(22)20-8-6-13(7-9-20)4-3-5-15(21)19-23/h13,23H,3-10H2,1-2H3,(H,17,22)(H,19,21).
What are the key properties of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is sourced from PubChem (CID 87749002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).