N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide

C15H28N2O3 — CID 122567105

IUPACN-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NCCN2CCC(CO)CC2)CCC1
InChIInChI=1S/C15H28N2O3/c1-20-12-15(5-2-6-15)14(19)16-7-10-17-8-3-13(11-18)4-9-17/h13,18H,2-12H2,1H3,(H,16,19)
InChIKeyHBOUOSUCIOXOMA-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.62
Rot. Bonds7

About N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide

N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide (PubChem CID 122567105) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
PubChem CID122567105
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NCCN2CCC(CO)CC2)CCC1
InChIInChI=1S/C15H28N2O3/c1-20-12-15(5-2-6-15)14(19)16-7-10-17-8-3-13(11-18)4-9-17/h13,18H,2-12H2,1H3,(H,16,19)
InChIKeyHBOUOSUCIOXOMA-UHFFFAOYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide
CID 122555981
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 125171754
4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 120642550
1-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutane-1-carboxamide
CID 122566549
4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120645450
4-(methoxymethyl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
CID 106391030
(2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 131934097
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120645907
1-(methoxymethyl)cyclobutane-1-carbohydrazide
CID 120999878
1-(hydroxymethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 115184095
1-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 61241468
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120642892

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide (CID 122567105) is N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide is COCC1(C(=O)NCCN2CCC(CO)CC2)CCC1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The InChIKey is HBOUOSUCIOXOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-20-12-15(5-2-6-15)14(19)16-7-10-17-8-3-13(11-18)4-9-17/h13,18H,2-12H2,1H3,(H,16,19).
What are the key properties of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 122567105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).