N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide

C15H28N2O3 — CID 114949066

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide
SMILESCN(CC1(O)CCOCC1)C(=O)CCC1CCCNC1
InChIInChI=1S/C15H28N2O3/c1-17(12-15(19)6-9-20-10-7-15)14(18)5-4-13-3-2-8-16-11-13/h13,16,19H,2-12H2,1H3
InChIKeyBVFPWMZEVBXATE-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.77
Rot. Bonds5

About N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide

N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide (PubChem CID 114949066) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide
PubChem CID114949066
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide
SMILESCN(CC1(O)CCOCC1)C(=O)CCC1CCCNC1
InChIInChI=1S/C15H28N2O3/c1-17(12-15(19)6-9-20-10-7-15)14(18)5-4-13-3-2-8-16-11-13/h13,16,19H,2-12H2,1H3
InChIKeyBVFPWMZEVBXATE-UHFFFAOYSA-N
XLogP0.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-piperidin-3-ylpropanamide
CID 114948870
N-methyl-N-(oxan-4-ylmethyl)-3-piperidin-3-ylpropanamide
CID 63706973
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114948737
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-3-ylpropanamide
CID 79313736
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylnonanamide
CID 114951680
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide
CID 114951490
N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide
CID 114949616
4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
CID 115759935
N-[(3-methoxyoxolan-3-yl)methyl]-3-piperidin-3-ylpropanamide
CID 104761551
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 114948986
N,N-bis(2-amino-2-oxoethyl)-3-piperidin-3-ylpropanamide
CID 55133581
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-piperidin-4-ylacetamide
CID 114948933

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide (CID 114949066) is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide is CN(CC1(O)CCOCC1)C(=O)CCC1CCCNC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide?
The InChIKey is BVFPWMZEVBXATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-17(12-15(19)6-9-20-10-7-15)14(18)5-4-13-3-2-8-16-11-13/h13,16,19H,2-12H2,1H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide has a molecular weight of 284.40 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide is sourced from PubChem (CID 114949066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).