N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide

C17H26N2O2 — CID 98773554

IUPACN-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C
InChIInChI=1S/C17H26N2O2/c1-14-12-19(13-15-6-4-3-5-7-15)10-8-16(14)18-17(20)9-11-21-2/h3-7,14,16H,8-13H2,1-2H3,(H,18,20)/t14-,16+/m0/s1
InChIKeyFRTGZTFXGOFRIF-GOEBONIOSA-N
MW290.41 g/mol
LogP2.05
Rot. Bonds6

About N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide

N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide (PubChem CID 98773554) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide
PubChem CID98773554
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C
InChIInChI=1S/C17H26N2O2/c1-14-12-19(13-15-6-4-3-5-7-15)10-8-16(14)18-17(20)9-11-21-2/h3-7,14,16H,8-13H2,1-2H3,(H,18,20)/t14-,16+/m0/s1
InChIKeyFRTGZTFXGOFRIF-GOEBONIOSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide
CID 136512736
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
methyl 1-[[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamoyl]cyclopropane-1-carboxylate
CID 124845729
methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride
CID 56832345
N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 167098946
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
1-(1-benzyl-3-methylpiperidin-4-yl)-3-(1-hydroxybutan-2-yl)urea
CID 111795636
[(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid
CID 68520665
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine
CID 86799905
N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide
CID 68964157
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide?
The IUPAC name of N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide (CID 98773554) is N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide is COCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C.
What is the InChIKey of N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide?
The InChIKey is FRTGZTFXGOFRIF-GOEBONIOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-12-19(13-15-6-4-3-5-7-15)10-8-16(14)18-17(20)9-11-21-2/h3-7,14,16H,8-13H2,1-2H3,(H,18,20)/t14-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide?
N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide is sourced from PubChem (CID 98773554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).