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

C18H30ClN3O4 — CID 175652751

IUPACN-(1-methoxypropan-2-yl)-4-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC(C)NC(=O)C1(Cc2cc(C3CCOC3)no2)CCNCC1.Cl
InChIInChI=1S/C18H29N3O4.ClH/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);1H
InChIKeyXJVNJKODPFDROR-UHFFFAOYSA-N
MW387.91 g/mol
LogP1.66
Rot. Bonds7

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

N-(1-methoxypropan-2-yl)-4-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 175652751) has the molecular formula C18H30ClN3O4 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID175652751
Molecular FormulaC18H30ClN3O4
Molecular Weight387.91 g/mol
Exact Mass387.19
IUPAC NameN-(1-methoxypropan-2-yl)-4-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC(C)NC(=O)C1(Cc2cc(C3CCOC3)no2)CCNCC1.Cl
InChIInChI=1S/C18H29N3O4.ClH/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);1H
InChIKeyXJVNJKODPFDROR-UHFFFAOYSA-N
XLogP1.66
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide
CID 92582042
N-[(2R)-1-methoxypropan-2-yl]-4-[[3-[(3S)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide
CID 92582039
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
N-(5,5-dimethylhexan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634804
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
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623224
5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 114696404
N-(1-methoxypropan-2-yl)piperidine-3-carboxamide
CID 18073012

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride (CID 175652751) is N-(1-methoxypropan-2-yl)-4-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride is COCC(C)NC(=O)C1(Cc2cc(C3CCOC3)no2)CCNCC1.Cl.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is XJVNJKODPFDROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4.ClH/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);1H.
What are the key properties of N-(1-methoxypropan-2-yl)-4-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride?
N-(1-methoxypropan-2-yl)-4-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 175652751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).