3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide

C19H27N3O3 — CID 120579129

IUPAC3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide
SMILESC=CCOc1ccc(C(=O)N2CCCCC2CNC(=O)CCN)cc1
InChIInChI=1S/C19H27N3O3/c1-2-13-25-17-8-6-15(7-9-17)19(24)22-12-4-3-5-16(22)14-21-18(23)10-11-20/h2,6-9,16H,1,3-5,10-14,20H2,(H,21,23)
InChIKeyLKYSXWNQAPPQFN-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.71
Rot. Bonds8

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

3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120579129) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide
PubChem CID120579129
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide
SMILESC=CCOc1ccc(C(=O)N2CCCCC2CNC(=O)CCN)cc1
InChIInChI=1S/C19H27N3O3/c1-2-13-25-17-8-6-15(7-9-17)19(24)22-12-4-3-5-16(22)14-21-18(23)10-11-20/h2,6-9,16H,1,3-5,10-14,20H2,(H,21,23)
InChIKeyLKYSXWNQAPPQFN-UHFFFAOYSA-N
XLogP1.71
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
CID 120579907
3-amino-N-[[1-[4-(3-methylbutoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578236
3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578206
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578567
3-amino-N-[[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578315
3-amino-N-[[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578314
3-amino-N-[[1-(4-butoxy-3-methoxybenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579797
3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578179
3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578788
3-amino-N-[[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578777
3-amino-N-[[1-[3-(difluoromethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
CID 120578293

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide (CID 120579129) is 3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide is C=CCOc1ccc(C(=O)N2CCCCC2CNC(=O)CCN)cc1.
What is the InChIKey of 3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is LKYSXWNQAPPQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-13-25-17-8-6-15(7-9-17)19(24)22-12-4-3-5-16(22)14-21-18(23)10-11-20/h2,6-9,16H,1,3-5,10-14,20H2,(H,21,23).
What are the key properties of 3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 345.44 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120579129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).