N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide

C20H32N2O3 — CID 86999291

IUPACN-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
SMILESCCCCOCCCNC(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C20H32N2O3/c1-2-3-15-25-16-7-12-21-20(24)22-13-10-18(11-14-22)19(23)17-8-5-4-6-9-17/h4-6,8-9,18-19,23H,2-3,7,10-16H2,1H3,(H,21,24)
InChIKeyHGVCEQJCGVTPLC-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.35
Rot. Bonds9

About N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide

N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide (PubChem CID 86999291) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
PubChem CID86999291
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
SMILESCCCCOCCCNC(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C20H32N2O3/c1-2-3-15-25-16-7-12-21-20(24)22-13-10-18(11-14-22)19(23)17-8-5-4-6-9-17/h4-6,8-9,18-19,23H,2-3,7,10-16H2,1H3,(H,21,24)
InChIKeyHGVCEQJCGVTPLC-UHFFFAOYSA-N
XLogP3.35
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122022013
4-[hydroxy(phenyl)methyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide
CID 111483064
N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 110883979
N-(3-butoxypropyl)azetidine-1-carboxamide
CID 71943747
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 110898270
4-[(S)-hydroxy(phenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 51547304
2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 95763117
(1S,6S)-9-methyl-N-[3-(2-phenylethoxy)propyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 124776899
4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 87000052
N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 111974919
N-cyclopentyl-4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 38206268
(1S,6R)-9-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 95908517

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide (CID 86999291) is N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide is CCCCOCCCNC(=O)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide?
The InChIKey is HGVCEQJCGVTPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-2-3-15-25-16-7-12-21-20(24)22-13-10-18(11-14-22)19(23)17-8-5-4-6-9-17/h4-6,8-9,18-19,23H,2-3,7,10-16H2,1H3,(H,21,24).
What are the key properties of N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide?
N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 86999291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).