(2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide

C19H28N2O3 — CID 154802072

IUPAC(2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide
SMILESCOCc1ccc(CN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-23-13-15-4-2-14(3-5-15)12-21-9-6-16(7-10-21)18-17(19(20)22)8-11-24-18/h2-5,16-18H,6-13H2,1H3,(H2,20,22)/t17-,18+/m0/s1
InChIKeyUBUVKDZELDJVNJ-ZWKOTPCHSA-N
MW332.44 g/mol
LogP1.94
Rot. Bonds6

About (2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide

(2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 154802072) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide
PubChem CID154802072
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide
SMILESCOCc1ccc(CN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-23-13-15-4-2-14(3-5-15)12-21-9-6-16(7-10-21)18-17(19(20)22)8-11-24-18/h2-5,16-18H,6-13H2,1H3,(H2,20,22)/t17-,18+/m0/s1
InChIKeyUBUVKDZELDJVNJ-ZWKOTPCHSA-N
XLogP1.94
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 167949273
(2R,3S)-2-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128978853
(2R,3S)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128978878
(2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 154756732
(2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide
CID 128979440
(2R,3S)-2-[1-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 154759723
(2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128978850
1-[[3-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768003
(2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide
CID 128977581
(2S,3R)-2-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxylic acid
CID 167772786
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81456953

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide (CID 154802072) is (2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide is COCc1ccc(CN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)cc1.
What is the InChIKey of (2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is UBUVKDZELDJVNJ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-13-15-4-2-14(3-5-15)12-21-9-6-16(7-10-21)18-17(19(20)22)8-11-24-18/h2-5,16-18H,6-13H2,1H3,(H2,20,22)/t17-,18+/m0/s1.
What are the key properties of (2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide?
(2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 154802072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).