3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C19H35N3O4 — CID 42286362

IUPAC3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCOCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCNC(C)=O)CC1
InChIInChI=1S/C19H35N3O4/c1-16(23)20-8-5-19(24)22(15-18-4-3-12-26-18)14-17-6-9-21(10-7-17)11-13-25-2/h17-18H,3-15H2,1-2H3,(H,20,23)/t18-/m0/s1
InChIKeyNRBFJCBGSYOUIG-SFHVURJKSA-N
MW369.51 g/mol
LogP0.88
Rot. Bonds10

About 3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 42286362) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID42286362
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Name3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCOCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCNC(C)=O)CC1
InChIInChI=1S/C19H35N3O4/c1-16(23)20-8-5-19(24)22(15-18-4-3-12-26-18)14-17-6-9-21(10-7-17)11-13-25-2/h17-18H,3-15H2,1-2H3,(H,20,23)/t18-/m0/s1
InChIKeyNRBFJCBGSYOUIG-SFHVURJKSA-N
XLogP0.88
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 45230896
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 45201215
4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45224635
methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964014
2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 29209581
1-[3-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]ethanone
CID 42242104
2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45240357
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide
CID 45195710
2-acetamido-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]acetamide
CID 129342815
N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
CID 45242953
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
CID 45174931
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)-N-[(2-prop-2-enoxycyclohexyl)methyl]methanamine
CID 171442484

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 42286362) is 3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCNC(C)=O)CC1.
What is the InChIKey of 3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is NRBFJCBGSYOUIG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-16(23)20-8-5-19(24)22(15-18-4-3-12-26-18)14-17-6-9-21(10-7-17)11-13-25-2/h17-18H,3-15H2,1-2H3,(H,20,23)/t18-/m0/s1.
What are the key properties of 3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 369.51 g/mol, XLogP of 0.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 42286362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).