N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide

C13H26N2O2 — CID 114084217

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1NCCCC1(C)C
InChIInChI=1S/C13H26N2O2/c1-9(2)10(8-16)15-12(17)11-13(3,4)6-5-7-14-11/h9-11,14,16H,5-8H2,1-4H3,(H,15,17)/t10-,11?/m1/s1
InChIKeyMPEYWMBBHCQKRP-NFJWQWPMSA-N
MW242.36 g/mol
LogP0.90
Rot. Bonds4

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide (PubChem CID 114084217) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide
PubChem CID114084217
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1NCCCC1(C)C
InChIInChI=1S/C13H26N2O2/c1-9(2)10(8-16)15-12(17)11-13(3,4)6-5-7-14-11/h9-11,14,16H,5-8H2,1-4H3,(H,15,17)/t10-,11?/m1/s1
InChIKeyMPEYWMBBHCQKRP-NFJWQWPMSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180427
3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
CID 114084303
3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide
CID 114084318
N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide
CID 114119268
(2S)-3,3-dimethylpiperidine-2-carboxylic acid
CID 93492996
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopentanecarboxamide
CID 79247248
N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide
CID 114162096
3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide
CID 106221816
(3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide
CID 81133856
3,3-dimethyl-N-(2-methylcyclohexyl)piperidine-2-carboxamide
CID 114083995
N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184210
N-(1-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide
CID 103796571

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide (CID 114084217) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide is CC(C)[C@@H](CO)NC(=O)C1NCCCC1(C)C.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide?
The InChIKey is MPEYWMBBHCQKRP-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)10(8-16)15-12(17)11-13(3,4)6-5-7-14-11/h9-11,14,16H,5-8H2,1-4H3,(H,15,17)/t10-,11?/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 114084217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).