N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide

C13H24N2O3 — CID 106298831

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NC2(CO)CCOCC2)CCNCC1
InChIInChI=1S/C13H24N2O3/c1-12(2-6-14-7-3-12)11(17)15-13(10-16)4-8-18-9-5-13/h14,16H,2-10H2,1H3,(H,15,17)
InChIKeyGZPNNVGQPGKSQV-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.03
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide (PubChem CID 106298831) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide
PubChem CID106298831
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NC2(CO)CCOCC2)CCNCC1
InChIInChI=1S/C13H24N2O3/c1-12(2-6-14-7-3-12)11(17)15-13(10-16)4-8-18-9-5-13/h14,16H,2-10H2,1H3,(H,15,17)
InChIKeyGZPNNVGQPGKSQV-UHFFFAOYSA-N
XLogP0.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylthiolane-2-carboxamide
CID 106298135
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106297187
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide
CID 106298704
N-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide
CID 106298930
2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 114170218
4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide
CID 113280753
N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpyrrolidine-3-carboxamide
CID 106298598
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide
CID 106298994
3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide
CID 113267282
4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide
CID 115294821
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 106298521

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide (CID 106298831) is N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide is CC1(C(=O)NC2(CO)CCOCC2)CCNCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide?
The InChIKey is GZPNNVGQPGKSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2-6-14-7-3-12)11(17)15-13(10-16)4-8-18-9-5-13/h14,16H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106298831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).