N-[2-(3-methoxypropylamino)-2-oxo-1-piperidin-4-ylethyl]-3-methylbenzamide

C19H29N3O3 — CID 24714549

IUPACN-[2-(3-methoxypropylamino)-2-oxo-1-piperidin-4-ylethyl]-3-methylbenzamide
SMILESCOCCCNC(=O)C(NC(=O)c1cccc(C)c1)C1CCNCC1
InChIInChI=1S/C19H29N3O3/c1-14-5-3-6-16(13-14)18(23)22-17(15-7-10-20-11-8-15)19(24)21-9-4-12-25-2/h3,5-6,13,15,17,20H,4,7-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVSCZQZJNZOBTRZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.25
Rot. Bonds8

About N-[2-(3-methoxypropylamino)-2-oxo-1-piperidin-4-ylethyl]-3-methylbenzamide

N-[2-(3-methoxypropylamino)-2-oxo-1-piperidin-4-ylethyl]-3-methylbenzamide (PubChem CID 24714549) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-(3-methoxypropylamino)-2-oxo-1-piperidin-4-ylethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropylamino)-2-oxo-1-piperidin-4-ylethyl]-3-methylbenzamide
PubChem CID24714549
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[2-(3-methoxypropylamino)-2-oxo-1-piperidin-4-ylethyl]-3-methylbenzamide
SMILESCOCCCNC(=O)C(NC(=O)c1cccc(C)c1)C1CCNCC1
InChIInChI=1S/C19H29N3O3/c1-14-5-3-6-16(13-14)18(23)22-17(15-7-10-20-11-8-15)19(24)21-9-4-12-25-2/h3,5-6,13,15,17,20H,4,7-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVSCZQZJNZOBTRZ-UHFFFAOYSA-N
XLogP1.25
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide
CID 93198858
4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 93183233
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020533
N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198988
4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93183237
N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-(prop-2-enylamino)ethyl]-3-methylbenzamide
CID 42840419
N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198983
4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide
CID 24714532
N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198980
N-[(1S)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]-3-methylbenzamide
CID 93199016
3-methyl-N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46020113
N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020448

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropylamino)-2-oxo-1-piperidin-4-ylethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(3-methoxypropylamino)-2-oxo-1-piperidin-4-ylethyl]-3-methylbenzamide (CID 24714549) is N-[2-(3-methoxypropylamino)-2-oxo-1-piperidin-4-ylethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(3-methoxypropylamino)-2-oxo-1-piperidin-4-ylethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(3-methoxypropylamino)-2-oxo-1-piperidin-4-ylethyl]-3-methylbenzamide is COCCCNC(=O)C(NC(=O)c1cccc(C)c1)C1CCNCC1.
What is the InChIKey of N-[2-(3-methoxypropylamino)-2-oxo-1-piperidin-4-ylethyl]-3-methylbenzamide?
The InChIKey is VSCZQZJNZOBTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-5-3-6-16(13-14)18(23)22-17(15-7-10-20-11-8-15)19(24)21-9-4-12-25-2/h3,5-6,13,15,17,20H,4,7-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(3-methoxypropylamino)-2-oxo-1-piperidin-4-ylethyl]-3-methylbenzamide?
N-[2-(3-methoxypropylamino)-2-oxo-1-piperidin-4-ylethyl]-3-methylbenzamide has a molecular weight of 347.46 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylamino)-2-oxo-1-piperidin-4-ylethyl]-3-methylbenzamide is sourced from PubChem (CID 24714549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).