N-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide

C20H32N2O3 — CID 66937642

IUPACN-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide
SMILESCCOC(CCCNC(=O)N1CCC(c2ccccc2)CC1)OCC
InChIInChI=1S/C20H32N2O3/c1-3-24-19(25-4-2)11-8-14-21-20(23)22-15-12-18(13-16-22)17-9-6-5-7-10-17/h5-7,9-10,18-19H,3-4,8,11-16H2,1-2H3,(H,21,23)
InChIKeyHHKMQVTVQZZXHO-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.75
Rot. Bonds9

About N-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide

N-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide (PubChem CID 66937642) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide
PubChem CID66937642
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide
SMILESCCOC(CCCNC(=O)N1CCC(c2ccccc2)CC1)OCC
InChIInChI=1S/C20H32N2O3/c1-3-24-19(25-4-2)11-8-14-21-20(23)22-15-12-18(13-16-22)17-9-6-5-7-10-17/h5-7,9-10,18-19H,3-4,8,11-16H2,1-2H3,(H,21,23)
InChIKeyHHKMQVTVQZZXHO-UHFFFAOYSA-N
XLogP3.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid
CID 122021606
propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate
CID 86870723
N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 86999291
2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 66166344
(2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 107839602
3-methyl-4-[(3-phenylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 81066848
N-(4,4-diethoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66937672
2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 112687859
2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428722
ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate
CID 110821710
N-(3-ethoxypropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723410
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551

Frequently Asked Questions

What is the IUPAC name of N-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide (CID 66937642) is N-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide is CCOC(CCCNC(=O)N1CCC(c2ccccc2)CC1)OCC.
What is the InChIKey of N-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide?
The InChIKey is HHKMQVTVQZZXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-3-24-19(25-4-2)11-8-14-21-20(23)22-15-12-18(13-16-22)17-9-6-5-7-10-17/h5-7,9-10,18-19H,3-4,8,11-16H2,1-2H3,(H,21,23).
What are the key properties of N-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide?
N-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 66937642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).