N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide

C18H28N2O3 — CID 119703187

IUPACN-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
SMILESCOc1ccc(OC)c(CNC(=O)CC(C)C2CCCNC2)c1
InChIInChI=1S/C18H28N2O3/c1-13(14-5-4-8-19-11-14)9-18(21)20-12-15-10-16(22-2)6-7-17(15)23-3/h6-7,10,13-14,19H,4-5,8-9,11-12H2,1-3H3,(H,20,21)
InChIKeyVCGIEDPXXTZGCG-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.35
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide

N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide (PubChem CID 119703187) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
PubChem CID119703187
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
SMILESCOc1ccc(OC)c(CNC(=O)CC(C)C2CCCNC2)c1
InChIInChI=1S/C18H28N2O3/c1-13(14-5-4-8-19-11-14)9-18(21)20-12-15-10-16(22-2)6-7-17(15)23-3/h6-7,10,13-14,19H,4-5,8-9,11-12H2,1-3H3,(H,20,21)
InChIKeyVCGIEDPXXTZGCG-UHFFFAOYSA-N
XLogP2.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705612
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119802538
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714575
(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
CID 99775760
(3S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
CID 99775759
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705625
N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 81049427
N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119715055
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide
CID 119761607

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide (CID 119703187) is N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide is COc1ccc(OC)c(CNC(=O)CC(C)C2CCCNC2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is VCGIEDPXXTZGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(14-5-4-8-19-11-14)9-18(21)20-12-15-10-16(22-2)6-7-17(15)23-3/h6-7,10,13-14,19H,4-5,8-9,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide?
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 320.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119703187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).