N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide

C18H28N2O4 — CID 175865078

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide
SMILESO=C(NC(CO)(CO)CO)C1CC(CCc2ccccc2)CCN1
InChIInChI=1S/C18H28N2O4/c21-11-18(12-22,13-23)20-17(24)16-10-15(8-9-19-16)7-6-14-4-2-1-3-5-14/h1-5,15-16,19,21-23H,6-13H2,(H,20,24)
InChIKeyGVTMJTASJABKIH-UHFFFAOYSA-N
MW336.43 g/mol
LogP-0.18
Rot. Bonds8

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide (PubChem CID 175865078) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide
PubChem CID175865078
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide
SMILESO=C(NC(CO)(CO)CO)C1CC(CCc2ccccc2)CCN1
InChIInChI=1S/C18H28N2O4/c21-11-18(12-22,13-23)20-17(24)16-10-15(8-9-19-16)7-6-14-4-2-1-3-5-14/h1-5,15-16,19,21-23H,6-13H2,(H,20,24)
InChIKeyGVTMJTASJABKIH-UHFFFAOYSA-N
XLogP-0.18
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 5-0.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide
CID 170949211
[4-(2-phenylethyl)piperidin-2-yl]methanol
CID 117000550
(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide
CID 107852747
N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide
CID 140659217
2-phenylethylcyclooctane
CID 54073487
4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
CID 114428574
(2R)-N-benzylazetidine-2-carboxamide;hydrochloride
CID 130891385
4-(2-cyclopropylethyl)-N-ethylpiperidine-2-carboxamide
CID 106779884
4-(2-cyclopropylethyl)piperidine-2-carboxylic acid
CID 18446255
N-(1-hydroxy-2-phenylpropan-2-yl)piperidine-2-carboxamide
CID 105058124
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
4-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 114427828

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide (CID 175865078) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide is O=C(NC(CO)(CO)CO)C1CC(CCc2ccccc2)CCN1.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide?
The InChIKey is GVTMJTASJABKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c21-11-18(12-22,13-23)20-17(24)16-10-15(8-9-19-16)7-6-14-4-2-1-3-5-14/h1-5,15-16,19,21-23H,6-13H2,(H,20,24).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide has a molecular weight of 336.43 g/mol, XLogP of -0.18, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 175865078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).