4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide

C20H30N2O5 — CID 42509021

IUPAC4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1
InChIInChI=1S/C20H30N2O5/c1-25-14-3-11-21-20(24)16-4-6-17(7-5-16)27-18-8-12-22(13-9-18)19(23)10-15-26-2/h4-7,18H,3,8-15H2,1-2H3,(H,21,24)
InChIKeySRVPMPYYLMOZBA-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.86
Rot. Bonds10

About 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide

4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide (PubChem CID 42509021) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide
PubChem CID42509021
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1
InChIInChI=1S/C20H30N2O5/c1-25-14-3-11-21-20(24)16-4-6-17(7-5-16)27-18-8-12-22(13-9-18)19(23)10-15-26-2/h4-7,18H,3,8-15H2,1-2H3,(H,21,24)
InChIKeySRVPMPYYLMOZBA-UHFFFAOYSA-N
XLogP1.86
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 24817383
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-pyrrolidin-3-ylbenzamide
CID 72921247
N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide
CID 42463230
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 26320229
4-cyclopentyloxy-N-(2-methoxyethyl)benzamide
CID 34396260
3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one
CID 42243815
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide
CID 42361309
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-methyl-N-[2-(oxan-2-yl)ethyl]benzamide
CID 45188135
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
ethyl [4-[[1-(3-methoxypropanoyl)piperidin-4-yl]methylcarbamoyl]phenyl] carbonate
CID 108930091
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 72925930
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide (CID 42509021) is 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1.
What is the InChIKey of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide?
The InChIKey is SRVPMPYYLMOZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-25-14-3-11-21-20(24)16-4-6-17(7-5-16)27-18-8-12-22(13-9-18)19(23)10-15-26-2/h4-7,18H,3,8-15H2,1-2H3,(H,21,24).
What are the key properties of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide?
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide has a molecular weight of 378.47 g/mol, XLogP of 1.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 42509021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).