3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide

C18H28N2O4 — CID 119761607

IUPAC3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CC(C)C2CCCNC2)c(OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-12(13-6-5-9-19-11-13)10-16(21)20-14-7-8-15(22-2)18(24-4)17(14)23-3/h7-8,12-13,19H,5-6,9-11H2,1-4H3,(H,20,21)
InChIKeyBOOPJYLQGJNWLC-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.68
Rot. Bonds7

About 3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide

3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide (PubChem CID 119761607) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide
PubChem CID119761607
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CC(C)C2CCCNC2)c(OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-12(13-6-5-9-19-11-13)10-16(21)20-14-7-8-15(22-2)18(24-4)17(14)23-3/h7-8,12-13,19H,5-6,9-11H2,1-4H3,(H,20,21)
InChIKeyBOOPJYLQGJNWLC-UHFFFAOYSA-N
XLogP2.68
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide
CID 119779708
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
(3S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
CID 99775759
(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
CID 99775760
N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119725624
N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119715055
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187
N-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide
CID 119697816
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide?
The IUPAC name of 3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide (CID 119761607) is 3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide?
The canonical SMILES for 3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide is COc1ccc(NC(=O)CC(C)C2CCCNC2)c(OC)c1OC.
What is the InChIKey of 3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide?
The InChIKey is BOOPJYLQGJNWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-12(13-6-5-9-19-11-13)10-16(21)20-14-7-8-15(22-2)18(24-4)17(14)23-3/h7-8,12-13,19H,5-6,9-11H2,1-4H3,(H,20,21).
What are the key properties of 3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide?
3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide has a molecular weight of 336.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide is sourced from PubChem (CID 119761607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).