N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide

C19H27N3O3 — CID 120791374

IUPACN-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCCCC2CNC(=O)c2ccccc2)O1
InChIInChI=1S/C19H27N3O3/c20-12-16-9-10-17(25-16)19(24)22-11-5-4-8-15(22)13-21-18(23)14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,20H2,(H,21,23)/t15?,16-,17+/m1/s1
InChIKeyUNVRQJNKCFKKCE-FGJGXXMFSA-N
MW345.44 g/mol
LogP1.30
Rot. Bonds5

About N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide

N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide (PubChem CID 120791374) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide
PubChem CID120791374
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCCCC2CNC(=O)c2ccccc2)O1
InChIInChI=1S/C19H27N3O3/c20-12-16-9-10-17(25-16)19(24)22-11-5-4-8-15(22)13-21-18(23)14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,20H2,(H,21,23)/t15?,16-,17+/m1/s1
InChIKeyUNVRQJNKCFKKCE-FGJGXXMFSA-N
XLogP1.30
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide with MolForge

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-benzylpiperidin-1-yl)methanone;hydrochloride
CID 120791287
N-[[(2S)-1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]piperidin-2-yl]methyl]benzamide
CID 124742100
N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide
CID 119766246
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 120785176
5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120690266
N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
CID 119313514
N-[[1-(3-amino-3-phenylpropanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
CID 119951018
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride
CID 120794811
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 120787268
(2S,5R)-5-(aminomethyl)-N-[(1-benzoylpiperidin-4-yl)methyl]oxolane-2-carboxamide
CID 120794252
(2S,5R)-5-(aminomethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)oxolane-2-carboxamide
CID 120797014
(2S,5R)-5-(aminomethyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120797320

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide?
The IUPAC name of N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide (CID 120791374) is N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide is NC[C@H]1CC[C@@H](C(=O)N2CCCCC2CNC(=O)c2ccccc2)O1.
What is the InChIKey of N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide?
The InChIKey is UNVRQJNKCFKKCE-FGJGXXMFSA-N. The full InChI is InChI=1S/C19H27N3O3/c20-12-16-9-10-17(25-16)19(24)22-11-5-4-8-15(22)13-21-18(23)14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,20H2,(H,21,23)/t15?,16-,17+/m1/s1.
What are the key properties of N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide?
N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide has a molecular weight of 345.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide is sourced from PubChem (CID 120791374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).