N-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide

C14H28N2O3 — CID 63905078

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide
SMILESCCC(CC)(CO)NC(=O)CCOC1CCNCC1
InChIInChI=1S/C14H28N2O3/c1-3-14(4-2,11-17)16-13(18)7-10-19-12-5-8-15-9-6-12/h12,15,17H,3-11H2,1-2H3,(H,16,18)
InChIKeySZRIUINKGKMOBR-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.81
Rot. Bonds8

About N-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide

N-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide (PubChem CID 63905078) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide
PubChem CID63905078
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide
SMILESCCC(CC)(CO)NC(=O)CCOC1CCNCC1
InChIInChI=1S/C14H28N2O3/c1-3-14(4-2,11-17)16-13(18)7-10-19-12-5-8-15-9-6-12/h12,15,17H,3-11H2,1-2H3,(H,16,18)
InChIKeySZRIUINKGKMOBR-UHFFFAOYSA-N
XLogP0.81
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-(3-piperidin-4-yloxypropanoylamino)butanoic acid
CID 64702490
N-[3-(aminomethyl)pentan-3-yl]-3-(oxan-4-yloxy)propanamide;hydrochloride
CID 119570341
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-piperidin-4-yloxypropanamide
CID 106349871
N-(2,2-dimethylcyclopropyl)-3-piperidin-4-yloxypropanamide
CID 63903556
N-(4-methylcyclohexyl)-3-piperidin-4-yloxypropanamide
CID 63875270
(2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid
CID 63902962
N-[2-(2-hydroxyethyl)pentyl]-3-piperidin-4-yloxypropanamide
CID 106116784
N-(2-amino-2-oxoethyl)-3-piperidin-4-yloxypropanamide
CID 63875429
2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide
CID 63904487
N-(2,3-dimethylbutyl)-3-piperidin-4-yloxypropanamide
CID 64599298
N-[2-(dimethylamino)-2-oxoethyl]-3-piperidin-4-yloxypropanamide
CID 63874940
N-[2-[ethyl(methyl)amino]ethyl]-3-piperidin-4-yloxypropanamide
CID 63902801

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide (CID 63905078) is N-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide is CCC(CC)(CO)NC(=O)CCOC1CCNCC1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide?
The InChIKey is SZRIUINKGKMOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-14(4-2,11-17)16-13(18)7-10-19-12-5-8-15-9-6-12/h12,15,17H,3-11H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide?
N-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide has a molecular weight of 272.39 g/mol, XLogP of 0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide is sourced from PubChem (CID 63905078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).