N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide

C12H24N2O4 — CID 114042054

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)(CO)CO)CCNCC1
InChIInChI=1S/C12H24N2O4/c1-11(7-15,8-16)14-10(17)12(9-18-2)3-5-13-6-4-12/h13,15-16H,3-9H2,1-2H3,(H,14,17)
InChIKeyXNHQQXYYBXBEQC-UHFFFAOYSA-N
MW260.33 g/mol
LogP-1.14
Rot. Bonds6

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 114042054) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID114042054
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)(CO)CO)CCNCC1
InChIInChI=1S/C12H24N2O4/c1-11(7-15,8-16)14-10(17)12(9-18-2)3-5-13-6-4-12/h13,15-16H,3-9H2,1-2H3,(H,14,17)
InChIKeyXNHQQXYYBXBEQC-UHFFFAOYSA-N
XLogP-1.14
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxy-2-methylbutan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042080
N-(2-hydroxy-2-methylpropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042041
N-(5,5-dimethylhexan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634804
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
4-ethyl-N-(3-methylpentan-3-yl)piperidine-4-carboxamide
CID 106328694
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114154115
4-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide
CID 120626064
4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide
CID 106187178
4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride
CID 120632253
4-(methoxymethyl)-N-(2,2,3,3-tetrafluoropropyl)piperidine-4-carboxamide
CID 106291735
N-[2-(hydroxymethyl)cyclohexyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 106361521
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 120620516

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide (CID 114042054) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NC(C)(CO)CO)CCNCC1.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is XNHQQXYYBXBEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-11(7-15,8-16)14-10(17)12(9-18-2)3-5-13-6-4-12/h13,15-16H,3-9H2,1-2H3,(H,14,17).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 260.33 g/mol, XLogP of -1.14, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 114042054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).