N-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide

C18H29N3O4 — CID 92582042

IUPACN-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOC[C@H](C)NC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CCNCC1
InChIInChI=1S/C18H29N3O4/c1-13(11-23-2)20-17(22)18(4-6-19-7-5-18)10-15-9-16(21-25-15)14-3-8-24-12-14/h9,13-14,19H,3-8,10-12H2,1-2H3,(H,20,22)/t13-,14-/m0/s1
InChIKeyVNSADAAVCFNELL-KBPBESRZSA-N
MW351.45 g/mol
LogP1.24
Rot. Bonds7

About N-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide

N-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 92582042) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID92582042
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOC[C@H](C)NC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CCNCC1
InChIInChI=1S/C18H29N3O4/c1-13(11-23-2)20-17(22)18(4-6-19-7-5-18)10-15-9-16(21-25-15)14-3-8-24-12-14/h9,13-14,19H,3-8,10-12H2,1-2H3,(H,20,22)/t13-,14-/m0/s1
InChIKeyVNSADAAVCFNELL-KBPBESRZSA-N
XLogP1.24
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-1-methoxypropan-2-yl]-4-[[3-[(3S)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide
CID 92582039
N-(1-methoxypropan-2-yl)-4-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 175652751
3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide
CID 110234794
4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide
CID 110234591
methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate
CID 163373999
N-[(2R)-1-methoxypropan-2-yl]-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 124952155
5-ethyl-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 46246328
N-(1-methoxypropan-2-yl)-2-(oxan-3-ylamino)acetamide
CID 63363442
5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 114696404
4-[(1-methoxypropan-2-ylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440287
(3-piperidin-4-yl-1,2-oxazol-5-yl)methanol
CID 138046457
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623224

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide (CID 92582042) is N-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide is COC[C@H](C)NC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CCNCC1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is VNSADAAVCFNELL-KBPBESRZSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-13(11-23-2)20-17(22)18(4-6-19-7-5-18)10-15-9-16(21-25-15)14-3-8-24-12-14/h9,13-14,19H,3-8,10-12H2,1-2H3,(H,20,22)/t13-,14-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide?
N-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 92582042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).