2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide

C19H30N2O3 — CID 110898270

IUPAC2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C19H30N2O3/c1-15(19(23)20-11-6-14-24-2)21-12-9-17(10-13-21)18(22)16-7-4-3-5-8-16/h3-5,7-8,15,17-18,22H,6,9-14H2,1-2H3,(H,20,23)
InChIKeyBQQPRBDVQSPKOZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.97
Rot. Bonds8

About 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide

2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 110898270) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
PubChem CID110898270
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C19H30N2O3/c1-15(19(23)20-11-6-14-24-2)21-12-9-17(10-13-21)18(22)16-7-4-3-5-8-16/h3-5,7-8,15,17-18,22H,6,9-14H2,1-2H3,(H,20,23)
InChIKeyBQQPRBDVQSPKOZ-UHFFFAOYSA-N
XLogP1.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.97
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

propyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
CID 111461861
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63847171
N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 86999291
N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 110883979
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 56809559
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 9275184
(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
CID 9275101
N-(3-methoxypropyl)-2-[3-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114499096
N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide
CID 114499445
N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 111974919
4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93183237

Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide (CID 110898270) is 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is BQQPRBDVQSPKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15(19(23)20-11-6-14-24-2)21-12-9-17(10-13-21)18(22)16-7-4-3-5-8-16/h3-5,7-8,15,17-18,22H,6,9-14H2,1-2H3,(H,20,23).
What are the key properties of 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 334.46 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 110898270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).