N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclobutanecarboxamide;formic acid

C15H28N2O5 — CID 154912705

IUPACN-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclobutanecarboxamide;formic acid
SMILESO=C(NCC1CCN(CC(O)CO)CC1)C1CCC1.O=CO
InChIInChI=1S/C14H26N2O3.CH2O2/c17-10-13(18)9-16-6-4-11(5-7-16)8-15-14(19)12-2-1-3-12;2-1-3/h11-13,17-18H,1-10H2,(H,15,19);1H,(H,2,3)
InChIKeyNAPJXIVIIZUZIO-UHFFFAOYSA-N
MW316.40 g/mol
LogP-0.33
Rot. Bonds6

About N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclobutanecarboxamide;formic acid

N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclobutanecarboxamide;formic acid (PubChem CID 154912705) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclobutanecarboxamide;formic acid.

Molecular Properties

Compound NameN-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclobutanecarboxamide;formic acid
PubChem CID154912705
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC NameN-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclobutanecarboxamide;formic acid
SMILESO=C(NCC1CCN(CC(O)CO)CC1)C1CCC1.O=CO
InChIInChI=1S/C14H26N2O3.CH2O2/c17-10-13(18)9-16-6-4-11(5-7-16)8-15-14(19)12-2-1-3-12;2-1-3/h11-13,17-18H,1-10H2,(H,15,19);1H,(H,2,3)
InChIKeyNAPJXIVIIZUZIO-UHFFFAOYSA-N
XLogP-0.33
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 131901425
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
N-[(2R)-2,3-dihydroxypropyl]cyclobutanecarboxamide
CID 165487313
N-[[1-(3-hydroxypropanoyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 131921966
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 131897706
N-[[5-[(2R)-2,3-dihydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 96577631
N-(cyclopropylmethyl)-1-(2-hydroxy-3-phenoxypropyl)piperidine-3-carboxamide
CID 110892635
(2S)-3-piperidin-1-ylpropane-1,2-diol
CID 854495
1-cyclopentyl-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 103160901
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 131893952
N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclobutanecarboxamide;formic acid?
The IUPAC name of N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclobutanecarboxamide;formic acid (CID 154912705) is N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclobutanecarboxamide;formic acid.
What is the SMILES notation for N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclobutanecarboxamide;formic acid?
The canonical SMILES for N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclobutanecarboxamide;formic acid is O=C(NCC1CCN(CC(O)CO)CC1)C1CCC1.O=CO.
What is the InChIKey of N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclobutanecarboxamide;formic acid?
The InChIKey is NAPJXIVIIZUZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.CH2O2/c17-10-13(18)9-16-6-4-11(5-7-16)8-15-14(19)12-2-1-3-12;2-1-3/h11-13,17-18H,1-10H2,(H,15,19);1H,(H,2,3).
What are the key properties of N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclobutanecarboxamide;formic acid?
N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclobutanecarboxamide;formic acid has a molecular weight of 316.40 g/mol, XLogP of -0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclobutanecarboxamide;formic acid is sourced from PubChem (CID 154912705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).