N-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide

C11H22N2O2 — CID 107221454

IUPACN-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide
SMILESCC[C@H](CO)NC(=O)C1(C)CCNCC1
InChIInChI=1S/C11H22N2O2/c1-3-9(8-14)13-10(15)11(2)4-6-12-7-5-11/h9,12,14H,3-8H2,1-2H3,(H,13,15)/t9-/m1/s1
InChIKeyRHKLPCBSPJHCLI-SECBINFHSA-N
MW214.31 g/mol
LogP0.26
Rot. Bonds4

About N-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide

N-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide (PubChem CID 107221454) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide
PubChem CID107221454
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide
SMILESCC[C@H](CO)NC(=O)C1(C)CCNCC1
InChIInChI=1S/C11H22N2O2/c1-3-9(8-14)13-10(15)11(2)4-6-12-7-5-11/h9,12,14H,3-8H2,1-2H3,(H,13,15)/t9-/m1/s1
InChIKeyRHKLPCBSPJHCLI-SECBINFHSA-N
XLogP0.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide (CID 107221454) is N-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide is CC[C@H](CO)NC(=O)C1(C)CCNCC1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide?
The InChIKey is RHKLPCBSPJHCLI-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-9(8-14)13-10(15)11(2)4-6-12-7-5-11/h9,12,14H,3-8H2,1-2H3,(H,13,15)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide?
N-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 107221454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).