3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide

C19H29N3O4 — CID 120579907

IUPAC3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
SMILESCOCCOc1ccc(C(=O)N2CCCCC2CNC(=O)CCN)cc1
InChIInChI=1S/C19H29N3O4/c1-25-12-13-26-17-7-5-15(6-8-17)19(24)22-11-3-2-4-16(22)14-21-18(23)9-10-20/h5-8,16H,2-4,9-14,20H2,1H3,(H,21,23)
InChIKeyZPRRCEBPWXWOLQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.17
Rot. Bonds9

About 3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120579907) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
PubChem CID120579907
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
SMILESCOCCOc1ccc(C(=O)N2CCCCC2CNC(=O)CCN)cc1
InChIInChI=1S/C19H29N3O4/c1-25-12-13-26-17-7-5-15(6-8-17)19(24)22-11-3-2-4-16(22)14-21-18(23)9-10-20/h5-8,16H,2-4,9-14,20H2,1H3,(H,21,23)
InChIKeyZPRRCEBPWXWOLQ-UHFFFAOYSA-N
XLogP1.17
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[[1-[4-(3-methylbutoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578236
3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579129
3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579872
3-amino-N-[[1-(4-butoxy-3-methoxybenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579797
3-amino-N-[[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578777
3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578788
3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578206
3-amino-N-[[1-[4-(4-fluorophenoxy)butanoyl]piperidin-2-yl]methyl]propanamide
CID 120579145
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
3-amino-N-[[1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578155
3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578567
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide (CID 120579907) is 3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide is COCCOc1ccc(C(=O)N2CCCCC2CNC(=O)CCN)cc1.
What is the InChIKey of 3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is ZPRRCEBPWXWOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-25-12-13-26-17-7-5-15(6-8-17)19(24)22-11-3-2-4-16(22)14-21-18(23)9-10-20/h5-8,16H,2-4,9-14,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120579907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).