N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide

C19H29N3O3 — CID 49324541

IUPACN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide
SMILESCNC(=O)CN1CCC(NC(=O)CCCOCc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-20-19(24)14-22-11-9-17(10-12-22)21-18(23)8-5-13-25-15-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3,(H,20,24)(H,21,23)
InChIKeyCYROPRCBCKSVMP-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.31
Rot. Bonds9

About N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide

N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide (PubChem CID 49324541) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide.

Molecular Properties

Compound NameN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide
PubChem CID49324541
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide
SMILESCNC(=O)CN1CCC(NC(=O)CCCOCc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-20-19(24)14-22-11-9-17(10-12-22)21-18(23)8-5-13-25-15-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3,(H,20,24)(H,21,23)
InChIKeyCYROPRCBCKSVMP-UHFFFAOYSA-N
XLogP1.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide
CID 95981025
(2S)-2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119853476
N-(1-ethylpiperidin-4-yl)-4-phenylbutanamide
CID 17250229
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide
CID 16589823
N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55853187
N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride
CID 119475599
N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738194
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 51081790
3-(cyclopropylamino)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60866717

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide?
The IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide (CID 49324541) is N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide.
What is the SMILES notation for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide?
The canonical SMILES for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide is CNC(=O)CN1CCC(NC(=O)CCCOCc2ccccc2)CC1.
What is the InChIKey of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide?
The InChIKey is CYROPRCBCKSVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-20-19(24)14-22-11-9-17(10-12-22)21-18(23)8-5-13-25-15-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide?
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide has a molecular weight of 347.46 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide is sourced from PubChem (CID 49324541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).