N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide

C12H24N2O3 — CID 103950700

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide
SMILESCOCC(CCO)NC(=O)C1(C)CCCNC1
InChIInChI=1S/C12H24N2O3/c1-12(5-3-6-13-9-12)11(16)14-10(4-7-15)8-17-2/h10,13,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyOFBLQKDPMBERGZ-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.11
Rot. Bonds6

About N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide

N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide (PubChem CID 103950700) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide
PubChem CID103950700
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide
SMILESCOCC(CCO)NC(=O)C1(C)CCCNC1
InChIInChI=1S/C12H24N2O3/c1-12(5-3-6-13-9-12)11(16)14-10(4-7-15)8-17-2/h10,13,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyOFBLQKDPMBERGZ-UHFFFAOYSA-N
XLogP-0.11
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide (CID 103950700) is N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide is COCC(CCO)NC(=O)C1(C)CCCNC1.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide?
The InChIKey is OFBLQKDPMBERGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(5-3-6-13-9-12)11(16)14-10(4-7-15)8-17-2/h10,13,15H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide has a molecular weight of 244.33 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103950700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).