3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide

C20H30N2O2 — CID 110245179

IUPAC3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide
SMILESCOCCC(=O)NC1CCN(CC2(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C20H30N2O2/c1-16-3-5-17(6-4-16)20(10-11-20)15-22-12-7-18(8-13-22)21-19(23)9-14-24-2/h3-6,18H,7-15H2,1-2H3,(H,21,23)
InChIKeyRWIHLGCKRKDKSS-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.64
Rot. Bonds7

About 3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide

3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide (PubChem CID 110245179) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide
PubChem CID110245179
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide
SMILESCOCCC(=O)NC1CCN(CC2(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C20H30N2O2/c1-16-3-5-17(6-4-16)20(10-11-20)15-22-12-7-18(8-13-22)21-19(23)9-14-24-2/h3-6,18H,7-15H2,1-2H3,(H,21,23)
InChIKeyRWIHLGCKRKDKSS-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]propanamide
CID 92557513
N-[1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide
CID 92585557
N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide
CID 92557507
2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide
CID 95853180
3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556176
2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide
CID 92595353
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-[(1-phenylcyclopropyl)methyl]piperidin-4-yl]acetamide
CID 92605067
1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine
CID 175660899
N-[2-[[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-methylfuran-2-carboxamide
CID 95853041
methyl 4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561101
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552093
(3S)-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]-1,1-dioxothiolane-3-sulfonamide
CID 92557494

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide (CID 110245179) is 3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide is COCCC(=O)NC1CCN(CC2(c3ccc(C)cc3)CC2)CC1.
What is the InChIKey of 3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide?
The InChIKey is RWIHLGCKRKDKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16-3-5-17(6-4-16)20(10-11-20)15-22-12-7-18(8-13-22)21-19(23)9-14-24-2/h3-6,18H,7-15H2,1-2H3,(H,21,23).
What are the key properties of 3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide?
3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide has a molecular weight of 330.47 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 110245179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).